N-(3,5-difluoro-4-methylphenyl)methanesulfonamide

C8H9F2NO2S — CID 166140237

IUPACN-(3,5-difluoro-4-methylphenyl)methanesulfonamide
SMILESCc1c(F)cc(NS(C)(=O)=O)cc1F
InChIInChI=1S/C8H9F2NO2S/c1-5-7(9)3-6(4-8(5)10)11-14(2,12)13/h3-4,11H,1-2H3
InChIKeyLYJNZIZQSKYEPB-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.64
Rot. Bonds2

About N-(3,5-difluoro-4-methylphenyl)methanesulfonamide

N-(3,5-difluoro-4-methylphenyl)methanesulfonamide (PubChem CID 166140237) has the molecular formula C8H9F2NO2S and a molecular weight of 221.23 g/mol. Its IUPAC name is N-(3,5-difluoro-4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-methylphenyl)methanesulfonamide
PubChem CID166140237
Molecular FormulaC8H9F2NO2S
Molecular Weight221.23 g/mol
Exact Mass221.03
IUPAC NameN-(3,5-difluoro-4-methylphenyl)methanesulfonamide
SMILESCc1c(F)cc(NS(C)(=O)=O)cc1F
InChIInChI=1S/C8H9F2NO2S/c1-5-7(9)3-6(4-8(5)10)11-14(2,12)13/h3-4,11H,1-2H3
InChIKeyLYJNZIZQSKYEPB-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,5-difluoro-4-methylphenyl)methanesulfonamide 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-(2,6-dimethyl-4-pyridinyl)methanesulfonamide
CID 130662680
[2-fluoro-4-(methanesulfonamido)phenyl]boronic acid
CID 163339184
N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 2805852
N-(3-fluoro-5-formylphenyl)methanesulfonamide
CID 119084410
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane
CID 142910811
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35540385
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide
CID 47064903
N-[3-tert-butyl-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 118028245
N-(5-methylthiophen-3-yl)methanesulfonamide
CID 154470515
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-methylphenyl)methanesulfonamide?
The IUPAC name of N-(3,5-difluoro-4-methylphenyl)methanesulfonamide (CID 166140237) is N-(3,5-difluoro-4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3,5-difluoro-4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(3,5-difluoro-4-methylphenyl)methanesulfonamide is Cc1c(F)cc(NS(C)(=O)=O)cc1F.
What is the InChIKey of N-(3,5-difluoro-4-methylphenyl)methanesulfonamide?
The InChIKey is LYJNZIZQSKYEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2S/c1-5-7(9)3-6(4-8(5)10)11-14(2,12)13/h3-4,11H,1-2H3.
What are the key properties of N-(3,5-difluoro-4-methylphenyl)methanesulfonamide?
N-(3,5-difluoro-4-methylphenyl)methanesulfonamide has a molecular weight of 221.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 166140237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).