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

C23H21N5O3S — CID 166231057

IUPAC3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H21N5O3S/c1-15-8-9-18(14-20(15)28-32(2,30)31)23(29)24-19-12-10-17(11-13-19)22-25-21(26-27-22)16-6-4-3-5-7-16/h3-14,28H,1-2H3,(H,24,29)(H,25,26,27)
InChIKeyIUVFEQADJUMKAW-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.07
Rot. Bonds6

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

3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide (PubChem CID 166231057) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
PubChem CID166231057
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H21N5O3S/c1-15-8-9-18(14-20(15)28-32(2,30)31)23(29)24-19-12-10-17(11-13-19)22-25-21(26-27-22)16-6-4-3-5-7-16/h3-14,28H,1-2H3,(H,24,29)(H,25,26,27)
InChIKeyIUVFEQADJUMKAW-UHFFFAOYSA-N
XLogP4.07
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-methylsulfonyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 166231046
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
4-methylsulfonyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]thiophene-2-carboxamide
CID 166192784
N-[4-[3-[3-[5-[4-(methanesulfonamido)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]methanesulfonamide
CID 118529756
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
3-(methanesulfonamido)-4-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 55635987
4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
CID 146132998
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55992738
N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41465561
3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 87011024
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062512
4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 86776880

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide (CID 166231057) is 3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The InChIKey is IUVFEQADJUMKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c1-15-8-9-18(14-20(15)28-32(2,30)31)23(29)24-19-12-10-17(11-13-19)22-25-21(26-27-22)16-6-4-3-5-7-16/h3-14,28H,1-2H3,(H,24,29)(H,25,26,27).
What are the key properties of 3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide?
3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide has a molecular weight of 447.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-methyl-N-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 166231057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).