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N-[2-(pyrrolidine-1-sulfonyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-7-carboxamide

ChemBase ID: 341366
Molecular Formular: C19H25N3O3S
Molecular Mass: 375.4851
Monoisotopic Mass: 375.16166268
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CCCC1)CCNC(=O)c1cc2[nH]c3c(c2cc1)CCCC3
Canonical SMILES:
O=C(c1ccc2c(c1)[nH]c1c2CCCC1)NCCS(=O)(=O)N1CCCC1
InChI:
InChI=1S/C19H25N3O3S/c23-19(20-9-12-26(24,25)22-10-3-4-11-22)14-7-8-16-15-5-1-2-6-17(15)21-18(16)13-14/h7-8,13,21H,1-6,9-12H2,(H,20,23)
InChIKey:
RTFOKFCFZRMOSJ-UHFFFAOYSA-N

Cite this record

CBID:341366 http://www.chembase.cn/molecule-341366.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(pyrrolidine-1-sulfonyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-7-carboxamide
IUPAC Traditional name
N-[2-(pyrrolidine-1-sulfonyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
Synonyms
N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-7-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.937261  H Acceptors
H Donor LogD (pH = 5.5) 1.6612363 
LogD (pH = 7.4) 1.6612364  Log P 1.6612364 
Molar Refractivity 102.1894 cm3 Polarizability 40.476116 Å3
Polar Surface Area 82.27 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.83  LOG S -4.35 
Polar Surface Area 82.27 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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