N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide

C14H13F2NO3S — CID 2981983

IUPACN-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H13F2NO3S/c1-9-3-6-13(20-2)14(7-9)21(18,19)17-12-5-4-10(15)8-11(12)16/h3-8,17H,1-2H3
InChIKeyGUMQKFWWCJLYTM-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.08
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide

N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 2981983) has the molecular formula C14H13F2NO3S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID2981983
Molecular FormulaC14H13F2NO3S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC NameN-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H13F2NO3S/c1-9-3-6-13(20-2)14(7-9)21(18,19)17-12-5-4-10(15)8-11(12)16/h3-8,17H,1-2H3
InChIKeyGUMQKFWWCJLYTM-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-difluorophenyl)-2-methoxy-5-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-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 113092763
N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 103098110
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53288956
3-amino-N-(2-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28890673
N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 47062701
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide (CID 2981983) is N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is GUMQKFWWCJLYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-9-3-6-13(20-2)14(7-9)21(18,19)17-12-5-4-10(15)8-11(12)16/h3-8,17H,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 2981983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).