N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide

C13H11ClFNO3S — CID 19109264

IUPACN-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C13H11ClFNO3S/c1-19-13-7-6-11(8-12(13)15)20(17,18)16-10-4-2-9(14)3-5-10/h2-8,16H,1H3
InChIKeyUMPHQOPGVXMKOE-UHFFFAOYSA-N
MW315.75 g/mol
LogP3.29
Rot. Bonds4

About N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide

N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 19109264) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID19109264
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC NameN-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C13H11ClFNO3S/c1-19-13-7-6-11(8-12(13)15)20(17,18)16-10-4-2-9(14)3-5-10/h2-8,16H,1H3
InChIKeyUMPHQOPGVXMKOE-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 4647727
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 112811750
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide
CID 71945709
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide (CID 19109264) is N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1F.
What is the InChIKey of N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is UMPHQOPGVXMKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c1-19-13-7-6-11(8-12(13)15)20(17,18)16-10-4-2-9(14)3-5-10/h2-8,16H,1H3.
What are the key properties of N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 315.75 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 19109264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).