4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide

C17H19ClN2O3S — CID 100786334

IUPAC4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c(C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-10-7-11(2)16(12(3)8-10)19-17(21)13-5-6-14(18)15(9-13)20-24(4,22)23/h5-9,20H,1-4H3,(H,19,21)
InChIKeyLVQPAMPEZYCRPC-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.89
Rot. Bonds4

About 4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide

4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 100786334) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID100786334
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c(C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-10-7-11(2)16(12(3)8-10)19-17(21)13-5-6-14(18)15(9-13)20-24(4,22)23/h5-9,20H,1-4H3,(H,19,21)
InChIKeyLVQPAMPEZYCRPC-UHFFFAOYSA-N
XLogP3.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165
N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 78776503
4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 92678447
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
4-chloro-3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide
CID 49017272
4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide
CID 49019461
4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide
CID 49021281
3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 1020081
4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
CID 26894430
4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
CID 60604741

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide (CID 100786334) is 4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c(C)c1.
What is the InChIKey of 4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is LVQPAMPEZYCRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-10-7-11(2)16(12(3)8-10)19-17(21)13-5-6-14(18)15(9-13)20-24(4,22)23/h5-9,20H,1-4H3,(H,19,21).
What are the key properties of 4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide?
4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 366.87 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 100786334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).