4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride

C14H12ClNO3S — CID 13467302

IUPAC4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c1-10-4-2-3-5-13(10)14(17)16-11-6-8-12(9-7-11)20(15,18)19/h2-9H,1H3,(H,16,17)
InChIKeyLVMCAGDPVVXJBX-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.17
Rot. Bonds3

About 4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride

4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride (PubChem CID 13467302) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride
PubChem CID13467302
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c1-10-4-2-3-5-13(10)14(17)16-11-6-8-12(9-7-11)20(15,18)19/h2-9H,1H3,(H,16,17)
InChIKeyLVMCAGDPVVXJBX-UHFFFAOYSA-N
XLogP3.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
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2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
CID 40575887
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
N-[4-[(2-ethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 22306495
2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
CID 112979818
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43095846
N-[4-(1-hydroxyethyl)phenyl]-2-methylbenzamide
CID 43417161
[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid
CID 87188677

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride?
The IUPAC name of 4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride (CID 13467302) is 4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride?
The InChIKey is LVMCAGDPVVXJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-10-4-2-3-5-13(10)14(17)16-11-6-8-12(9-7-11)20(15,18)19/h2-9H,1H3,(H,16,17).
What are the key properties of 4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride?
4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride has a molecular weight of 309.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 13467302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).