N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide

C21H20N2O3S — CID 55705717

IUPACN-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C21H20N2O3S/c1-15-8-11-17(12-9-15)21(24)22-18-13-10-16(2)20(14-18)23-27(25,26)19-6-4-3-5-7-19/h3-14,23H,1-2H3,(H,22,24)
InChIKeyMMOIMQKOBKPQDR-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.36
Rot. Bonds5

About N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide

N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide (PubChem CID 55705717) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
PubChem CID55705717
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C21H20N2O3S/c1-15-8-11-17(12-9-15)21(24)22-18-13-10-16(2)20(14-18)23-27(25,26)19-6-4-3-5-7-19/h3-14,23H,1-2H3,(H,22,24)
InChIKeyMMOIMQKOBKPQDR-UHFFFAOYSA-N
XLogP4.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide
CID 55705690
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide
CID 86991515
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109065673
N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062615
4-(benzenesulfonamido)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 55711862
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55705614
N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
CID 46465631
4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
CID 146132998
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55839751
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide
CID 60514790

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide (CID 55705717) is N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide?
The InChIKey is MMOIMQKOBKPQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-15-8-11-17(12-9-15)21(24)22-18-13-10-16(2)20(14-18)23-27(25,26)19-6-4-3-5-7-19/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide?
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide has a molecular weight of 380.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide is sourced from PubChem (CID 55705717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).