N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide

C17H14N2O3S — CID 141014773

IUPACN-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide
SMILESO=C(NS(=O)(=O)C=Cc1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H14N2O3S/c20-17(16-12-14-8-4-5-9-15(14)18-16)19-23(21,22)11-10-13-6-2-1-3-7-13/h1-12,18H,(H,19,20)
InChIKeyLOXVFHOFERBEOJ-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.90
Rot. Bonds4

About N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide

N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide (PubChem CID 141014773) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide
PubChem CID141014773
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide
SMILESO=C(NS(=O)(=O)C=Cc1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H14N2O3S/c20-17(16-12-14-8-4-5-9-15(14)18-16)19-23(21,22)11-10-13-6-2-1-3-7-13/h1-12,18H,(H,19,20)
InChIKeyLOXVFHOFERBEOJ-UHFFFAOYSA-N
XLogP2.90
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 9326935
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
3-[(1-bromonaphthalen-2-yl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonyl-1H-indole-5-carboxamide
CID 22083990
[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 3-phenylprop-2-enoate
CID 78386718
ethane;1H-indole-2-carboxylic acid
CID 91052830
4-bromo-3,5-dimethoxy-N-[(E)-2-phenylethenyl]sulfonylbenzamide
CID 75403969
2-(sulfinatocarbamoyl)-1H-indole
CID 174607158
N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide
CID 26980112
(E)-4-(1H-indol-2-yl)-4-oxobut-2-enoic acid
CID 12618365
2,2-dimethyl-3-oxo-3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
CID 68504147
(1H-indole-2-carbonylamino)thiourea
CID 15483527
1H-indole-2-carbothioic S-acid
CID 4713092

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide (CID 141014773) is N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide is O=C(NS(=O)(=O)C=Cc1ccccc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide?
The InChIKey is LOXVFHOFERBEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-17(16-12-14-8-4-5-9-15(14)18-16)19-23(21,22)11-10-13-6-2-1-3-7-13/h1-12,18H,(H,19,20).
What are the key properties of N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide?
N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethenylsulfonyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 141014773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).