N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide

C22H18N2O3S — CID 162411750

IUPACN-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C22H18N2O3S/c1-15-11-13-17(14-12-15)28(26,27)24-22(25)20-18-9-5-6-10-19(18)23-21(20)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,24,25)
InChIKeyRAZSHBDETWMYTR-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.26
Rot. Bonds4

About N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide

N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide (PubChem CID 162411750) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide
PubChem CID162411750
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C22H18N2O3S/c1-15-11-13-17(14-12-15)28(26,27)24-22(25)20-18-9-5-6-10-19(18)23-21(20)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,24,25)
InChIKeyRAZSHBDETWMYTR-UHFFFAOYSA-N
XLogP4.26
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide
CID 146170024
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
9H-carbazole;4-methylbenzenesulfonic acid
CID 173038183
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide
CID 122367435
1-benzamido-3-(4-methylphenyl)sulfonylurea
CID 4142958
2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole
CID 101497449
N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide
CID 24825401
2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one
CID 43140038
2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one
CID 132530833
2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
CID 132940994

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide (CID 162411750) is N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide?
The InChIKey is RAZSHBDETWMYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-15-11-13-17(14-12-15)28(26,27)24-22(25)20-18-9-5-6-10-19(18)23-21(20)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,24,25).
What are the key properties of N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide?
N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide is sourced from PubChem (CID 162411750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).