3-fluoro-4-(methanesulfonamido)-5-methylbenzamide

C9H11FN2O3S — CID 91006628

IUPAC3-fluoro-4-(methanesulfonamido)-5-methylbenzamide
SMILESCc1cc(C(N)=O)cc(F)c1NS(C)(=O)=O
InChIInChI=1S/C9H11FN2O3S/c1-5-3-6(9(11)13)4-7(10)8(5)12-16(2,14)15/h3-4,12H,1-2H3,(H2,11,13)
InChIKeyWTJUIQWTDFZWGF-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.60
Rot. Bonds3

About 3-fluoro-4-(methanesulfonamido)-5-methylbenzamide

3-fluoro-4-(methanesulfonamido)-5-methylbenzamide (PubChem CID 91006628) has the molecular formula C9H11FN2O3S and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-fluoro-4-(methanesulfonamido)-5-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-(methanesulfonamido)-5-methylbenzamide
PubChem CID91006628
Molecular FormulaC9H11FN2O3S
Molecular Weight246.26 g/mol
Exact Mass246.05
IUPAC Name3-fluoro-4-(methanesulfonamido)-5-methylbenzamide
SMILESCc1cc(C(N)=O)cc(F)c1NS(C)(=O)=O
InChIInChI=1S/C9H11FN2O3S/c1-5-3-6(9(11)13)4-7(10)8(5)12-16(2,14)15/h3-4,12H,1-2H3,(H2,11,13)
InChIKeyWTJUIQWTDFZWGF-UHFFFAOYSA-N
XLogP0.60
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide
CID 140559120
3-[3,5-difluoro-4-(methanesulfonamido)phenyl]propanamide
CID 90774689
3-fluoro-5-methyl-4-(pyrrolidin-1-ylsulfonylamino)benzoic acid
CID 167871978
4-(methanesulfonamido)-3,5-dimethylbenzenesulfonic acid
CID 14317961
N-[4-[(1S)-1-aminoethyl]-2,6-difluorophenyl]methanesulfonamide;hydrochloride
CID 131637134
4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide
CID 86792679
3,4-dichloro-5-methylbenzamide
CID 121228378
5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride
CID 65368231
2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride
CID 141137418
2,6-difluoro-3-(methanesulfonamido)benzamide
CID 169218137
3-fluoro-5-formamido-4-methylbenzamide
CID 64992744
ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide
CID 144655985

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(methanesulfonamido)-5-methylbenzamide?
The IUPAC name of 3-fluoro-4-(methanesulfonamido)-5-methylbenzamide (CID 91006628) is 3-fluoro-4-(methanesulfonamido)-5-methylbenzamide.
What is the SMILES notation for 3-fluoro-4-(methanesulfonamido)-5-methylbenzamide?
The canonical SMILES for 3-fluoro-4-(methanesulfonamido)-5-methylbenzamide is Cc1cc(C(N)=O)cc(F)c1NS(C)(=O)=O.
What is the InChIKey of 3-fluoro-4-(methanesulfonamido)-5-methylbenzamide?
The InChIKey is WTJUIQWTDFZWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S/c1-5-3-6(9(11)13)4-7(10)8(5)12-16(2,14)15/h3-4,12H,1-2H3,(H2,11,13).
What are the key properties of 3-fluoro-4-(methanesulfonamido)-5-methylbenzamide?
3-fluoro-4-(methanesulfonamido)-5-methylbenzamide has a molecular weight of 246.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(methanesulfonamido)-5-methylbenzamide is sourced from PubChem (CID 91006628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).