4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide

C24H23N5O3S — CID 47068379

IUPAC4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCC(C)c1nc(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C24H23N5O3S/c1-16(2)22-26-23(28-27-22)20-10-6-7-11-21(20)25-24(30)17-12-14-19(15-13-17)33(31,32)29-18-8-4-3-5-9-18/h3-16,29H,1-2H3,(H,25,30)(H,26,27,28)
InChIKeyOWDFHQVTMXAKGH-UHFFFAOYSA-N
MW461.55 g/mol
LogP4.65
Rot. Bonds7

About 4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide

4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 47068379) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID47068379
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCC(C)c1nc(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C24H23N5O3S/c1-16(2)22-26-23(28-27-22)20-10-6-7-11-21(20)25-24(30)17-12-14-19(15-13-17)33(31,32)29-18-8-4-3-5-9-18/h3-16,29H,1-2H3,(H,25,30)(H,26,27,28)
InChIKeyOWDFHQVTMXAKGH-UHFFFAOYSA-N
XLogP4.65
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 86776880
3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 55901351
4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 60534452
(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119296859
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-propan-2-ylbenzamide
CID 2979282
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 55981489
N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 55945032
2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 52700448
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 51090865
4-(cyclopropylmethylsulfonyl)-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 146148764

Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide (CID 47068379) is 4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide is CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n[nH]1.
What is the InChIKey of 4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is OWDFHQVTMXAKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-16(2)22-26-23(28-27-22)20-10-6-7-11-21(20)25-24(30)17-12-14-19(15-13-17)33(31,32)29-18-8-4-3-5-9-18/h3-16,29H,1-2H3,(H,25,30)(H,26,27,28).
What are the key properties of 4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 461.55 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 47068379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).