4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride

C13H8Cl2FNO3S — CID 43111720

IUPAC4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2FNO3S/c14-9-3-1-8(2-4-9)13(18)17-10-5-6-12(11(16)7-10)21(15,19)20/h1-7H,(H,17,18)
InChIKeyRBVIBYDNMOKGMW-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.66
Rot. Bonds3

About 4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride

4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride (PubChem CID 43111720) has the molecular formula C13H8Cl2FNO3S and a molecular weight of 348.18 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
PubChem CID43111720
Molecular FormulaC13H8Cl2FNO3S
Molecular Weight348.18 g/mol
Exact Mass346.96
IUPAC Name4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2FNO3S/c14-9-3-1-8(2-4-9)13(18)17-10-5-6-12(11(16)7-10)21(15,19)20/h1-7H,(H,17,18)
InChIKeyRBVIBYDNMOKGMW-UHFFFAOYSA-N
XLogP3.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124846
4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43100856
4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43246597
N-(3-fluoro-4-sulfamoylphenyl)benzamide
CID 43246704
5-[(4-chlorobenzoyl)amino]-2-methylbenzenesulfonic acid
CID 139946842
4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 82873844
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride
CID 66128821
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43210055

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride (CID 43111720) is 4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)c(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride?
The InChIKey is RBVIBYDNMOKGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO3S/c14-9-3-1-8(2-4-9)13(18)17-10-5-6-12(11(16)7-10)21(15,19)20/h1-7H,(H,17,18).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride?
4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride has a molecular weight of 348.18 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 43111720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).