3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide

C14H13ClFNO3S — CID 94621880

IUPAC3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H13ClFNO3S/c1-17(11-5-3-10(16)4-6-11)21(18,19)12-7-8-14(20-2)13(15)9-12/h3-9H,1-2H3
InChIKeyQBTFBDNYGGNOKK-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.31
Rot. Bonds4

About 3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide

3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 94621880) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is 3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
PubChem CID94621880
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H13ClFNO3S/c1-17(11-5-3-10(16)4-6-11)21(18,19)12-7-8-14(20-2)13(15)9-12/h3-9H,1-2H3
InChIKeyQBTFBDNYGGNOKK-UHFFFAOYSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513954
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001
3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 100511071
3-chloro-N-(4-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090740
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 17434832
2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2709372
N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide
CID 99628913
N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313
N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 39457127
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 99705186
3-chloro-N-(2-chloro-5-nitrophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 100514963
N-(3-chloro-4-methoxyphenyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 2966578

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide (CID 94621880) is 3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is QBTFBDNYGGNOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-17(11-5-3-10(16)4-6-11)21(18,19)12-7-8-14(20-2)13(15)9-12/h3-9H,1-2H3.
What are the key properties of 3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide?
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 94621880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).