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

C14H13F2NO3S — CID 3746925

IUPACN-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C14H13F2NO3S/c1-17(14-8-3-10(15)9-13(14)16)21(18,19)12-6-4-11(20-2)5-7-12/h3-9H,1-2H3
InChIKeyFETXYFNQXDDPDG-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.80
Rot. Bonds4

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

N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 3746925) has the molecular formula C14H13F2NO3S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
PubChem CID3746925
Molecular FormulaC14H13F2NO3S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC NameN-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C14H13F2NO3S/c1-17(14-8-3-10(15)9-13(14)16)21(18,19)12-6-4-11(20-2)5-7-12/h3-9H,1-2H3
InChIKeyFETXYFNQXDDPDG-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

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Related Compounds

N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 3853010
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
4-chloro-N-(2,4-dimethoxyphenyl)-N-methylbenzenesulfonamide
CID 99635932
N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 100543133
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 3857944
4-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methylbenzoic acid
CID 100552827
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
N-[(2,4-difluorophenyl)methyl]-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 46022342
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide (CID 3746925) is N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is FETXYFNQXDDPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-17(14-8-3-10(15)9-13(14)16)21(18,19)12-6-4-11(20-2)5-7-12/h3-9H,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide?
N-(2,4-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-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 3746925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).