[4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride

C15H14ClNO4S — CID 141453398

IUPAC[4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride
SMILESCOc1ccc(C(=O)Nc2ccc(CS(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO4S/c1-21-14-8-4-12(5-9-14)15(18)17-13-6-2-11(3-7-13)10-22(16,19)20/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPFNACMUGRNLSCR-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.02
Rot. Bonds5

About [4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride

[4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride (PubChem CID 141453398) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is [4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride
PubChem CID141453398
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name[4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride
SMILESCOc1ccc(C(=O)Nc2ccc(CS(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO4S/c1-21-14-8-4-12(5-9-14)15(18)17-13-6-2-11(3-7-13)10-22(16,19)20/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPFNACMUGRNLSCR-UHFFFAOYSA-N
XLogP3.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
N-(4-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265486
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride?
The IUPAC name of [4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride (CID 141453398) is [4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride.
What is the SMILES notation for [4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride?
The canonical SMILES for [4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride is COc1ccc(C(=O)Nc2ccc(CS(=O)(=O)Cl)cc2)cc1.
What is the InChIKey of [4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride?
The InChIKey is PFNACMUGRNLSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-21-14-8-4-12(5-9-14)15(18)17-13-6-2-11(3-7-13)10-22(16,19)20/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of [4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride?
[4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride has a molecular weight of 339.80 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride is sourced from PubChem (CID 141453398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).