9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide

C21H18N2O3S — CID 174401073

IUPAC9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(Cn2c3ccccc3c3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C21H18N2O3S/c1-27(25,26)15-11-9-14(10-12-15)13-23-18-7-3-2-5-16(18)20-17(21(22)24)6-4-8-19(20)23/h2-12H,13H2,1H3,(H2,22,24)
InChIKeyBCSARGHOAFLUOB-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.35
Rot. Bonds4

About 9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide

9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide (PubChem CID 174401073) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
PubChem CID174401073
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(Cn2c3ccccc3c3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C21H18N2O3S/c1-27(25,26)15-11-9-14(10-12-15)13-23-18-7-3-2-5-16(18)20-17(21(22)24)6-4-8-19(20)23/h2-12H,13H2,1H3,(H2,22,24)
InChIKeyBCSARGHOAFLUOB-UHFFFAOYSA-N
XLogP3.35
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
CID 137400227
[1-Benzenesulfonyl-4-(2-dimethylamino-ethyl)-1H-indol-2-yl]-phenyl-methanone
CID 9867475
3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide
CID 11283333
N-(benzenesulfonyl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-phenyl-indole-6-carboxamide
CID 44441606
3-cyclohexyl-N-(2-dimethylaminoethylsulfonyl)-1-[2-(dimethylamino)-2-oxo-ethyl]-2-phenyl-indole-6-carboxamide
CID 44441608
(9-pentyl-9H-carbazol-3-yl)(1,1-dioxo-thiomorpholino)methanone
CID 56651352
4-[(2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide
CID 71583103
N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylindole-5-carboxamide
CID 130432661
N-[(4-ethylsulfonylphenyl)methyl]-2-[(2-methylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 130432668
N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-yl-2-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 130432669
N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 130432681
2-[(2-ethylphenyl)methyl]-N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 130432732

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide (CID 174401073) is 9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide is CS(=O)(=O)c1ccc(Cn2c3ccccc3c3c(C(N)=O)cccc32)cc1.
What is the InChIKey of 9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is BCSARGHOAFLUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-27(25,26)15-11-9-14(10-12-15)13-23-18-7-3-2-5-16(18)20-17(21(22)24)6-4-8-19(20)23/h2-12H,13H2,1H3,(H2,22,24).
What are the key properties of 9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide?
9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174401073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).