4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide

C13H19FN2O2S — CID 124516981

IUPAC4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N[C@H]1CCNC[C@@H]1C
InChIInChI=1S/C13H19FN2O2S/c1-9-7-11(14)3-4-13(9)19(17,18)16-12-5-6-15-8-10(12)2/h3-4,7,10,12,15-16H,5-6,8H2,1-2H3/t10-,12-/m0/s1
InChIKeyWSOQPGKUWNUNFQ-JQWIXIFHSA-N
MW286.37 g/mol
LogP1.41
Rot. Bonds3

About 4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide

4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide (PubChem CID 124516981) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
PubChem CID124516981
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N[C@H]1CCNC[C@@H]1C
InChIInChI=1S/C13H19FN2O2S/c1-9-7-11(14)3-4-13(9)19(17,18)16-12-5-6-15-8-10(12)2/h3-4,7,10,12,15-16H,5-6,8H2,1-2H3/t10-,12-/m0/s1
InChIKeyWSOQPGKUWNUNFQ-JQWIXIFHSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724642
4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
5-fluoro-2-(2-methoxyethoxy)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725128
2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826055
4-bromo-2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725020
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43597451
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 124516977
3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide (CID 124516981) is 4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCNC[C@@H]1C.
What is the InChIKey of 4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide?
The InChIKey is WSOQPGKUWNUNFQ-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9-7-11(14)3-4-13(9)19(17,18)16-12-5-6-15-8-10(12)2/h3-4,7,10,12,15-16H,5-6,8H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of 4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 124516981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).