4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C25H28ClN3O4S — CID 151268678

IUPAC4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)c1Cl
InChIInChI=1S/C25H28ClN3O4S/c1-4-12-34(32,33)29-19-7-5-6-16(22(19)26)15-10-11-18(24(27)30)23-21(15)17-9-8-14(25(2,3)31)13-20(17)28-23/h4-7,10-12,14,28-29,31H,8-9,13H2,1-3H3,(H2,27,30)
InChIKeyNVWSGPKEIQCGMN-UHFFFAOYSA-N
MW502.04 g/mol
LogP4.74
Rot. Bonds6

About 4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 151268678) has the molecular formula C25H28ClN3O4S and a molecular weight of 502.04 g/mol. Its IUPAC name is 4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID151268678
Molecular FormulaC25H28ClN3O4S
Molecular Weight502.04 g/mol
Exact Mass501.15
IUPAC Name4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)c1Cl
InChIInChI=1S/C25H28ClN3O4S/c1-4-12-34(32,33)29-19-7-5-6-16(22(19)26)15-10-11-18(24(27)30)23-21(15)17-9-8-14(25(2,3)31)13-20(17)28-23/h4-7,10-12,14,28-29,31H,8-9,13H2,1-3H3,(H2,27,30)
InChIKeyNVWSGPKEIQCGMN-UHFFFAOYSA-N
XLogP4.74
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.04
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[ethenylsulfanyl(methyl)amino]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 146208468
4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 59375022
7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 154407267
3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 129237159
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 141366296
[5-(3-amino-2-methylphenyl)-8-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl]carbamic acid
CID 90839151
5-tert-butyl-2-[[3-[1-carbamoyl-7-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]benzoic acid
CID 66606358
[2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate
CID 135155562
4-[3-(ethenylsulfonylamino)-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121294143
4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 130362598
N-[3-[(7S)-1-acetyl-3-chloro-7-(2-hydroxypropan-2-yl)-2,5,6,7,8,9-hexahydro-1H-carbazol-4-yl]-2-methylphenyl]acetamide
CID 163949322
(7S)-3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 86582336

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of 4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 151268678) is 4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for 4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)c1Cl.
What is the InChIKey of 4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is NVWSGPKEIQCGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O4S/c1-4-12-34(32,33)29-19-7-5-6-16(22(19)26)15-10-11-18(24(27)30)23-21(15)17-9-8-14(25(2,3)31)13-20(17)28-23/h4-7,10-12,14,28-29,31H,8-9,13H2,1-3H3,(H2,27,30).
What are the key properties of 4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 502.04 g/mol, XLogP of 4.74, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 151268678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).