N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide

C14H13F2NO3S — CID 94661208

IUPACN-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H13F2NO3S/c1-17(10-3-8-13(15)14(16)9-10)21(18,19)12-6-4-11(20-2)5-7-12/h3-9H,1-2H3
InChIKeyFZHTUQAZHCYDCC-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.80
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide

N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 94661208) has the molecular formula C14H13F2NO3S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
PubChem CID94661208
Molecular FormulaC14H13F2NO3S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC NameN-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H13F2NO3S/c1-17(10-3-8-13(15)14(16)9-10)21(18,19)12-6-4-11(20-2)5-7-12/h3-9H,1-2H3
InChIKeyFZHTUQAZHCYDCC-UHFFFAOYSA-N
XLogP2.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 3746925
N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
CID 110869229
2-chloro-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzoic acid
CID 100552922
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 60643138
N-(3,4-dimethoxyphenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189865
N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
CID 166311152
N-[4-[[(1S)-2,2-dichlorocyclopropyl]methoxy]phenyl]-4-methoxy-N-methylbenzenesulfonamide
CID 9353867
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 99705186

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide (CID 94661208) is N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is FZHTUQAZHCYDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-17(10-3-8-13(15)14(16)9-10)21(18,19)12-6-4-11(20-2)5-7-12/h3-9H,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide?
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 94661208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).