4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C14H13ClFNO3S — CID 26948090

IUPAC4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H13ClFNO3S/c1-20-12-5-2-10(3-6-12)9-17-21(18,19)14-7-4-11(15)8-13(14)16/h2-8,17H,9H2,1H3
InChIKeyMCLNORVINMKIFW-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.97
Rot. Bonds5

About 4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 26948090) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID26948090
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H13ClFNO3S/c1-20-12-5-2-10(3-6-12)9-17-21(18,19)14-7-4-11(15)8-13(14)16/h2-8,17H,9H2,1H3
InChIKeyMCLNORVINMKIFW-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
CID 81094378
[4-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191387
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110781066
N-[(4-chlorophenyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 19872494
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 26947494
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 32681146
5-chloro-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 4982528

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 26948090) is 4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2F)cc1.
What is the InChIKey of 4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is MCLNORVINMKIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-20-12-5-2-10(3-6-12)9-17-21(18,19)14-7-4-11(15)8-13(14)16/h2-8,17H,9H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 26948090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).