[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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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).