3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide

C13H20FN3O4S2 — CID 120726470

IUPAC3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C13H20FN3O4S2/c1-9-12(4-3-7-15-9)17-23(20,21)10-5-6-13(11(14)8-10)16-22(2,18)19/h5-6,8-9,12,15-17H,3-4,7H2,1-2H3
InChIKeyJHBVTEYVWDYJTI-UHFFFAOYSA-N
MW365.45 g/mol
LogP0.62
Rot. Bonds5

About 3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide

3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 120726470) has the molecular formula C13H20FN3O4S2 and a molecular weight of 365.45 g/mol. Its IUPAC name is 3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID120726470
Molecular FormulaC13H20FN3O4S2
Molecular Weight365.45 g/mol
Exact Mass365.09
IUPAC Name3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCC1NCCCC1NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C13H20FN3O4S2/c1-9-12(4-3-7-15-9)17-23(20,21)10-5-6-13(11(14)8-10)16-22(2,18)19/h5-6,8-9,12,15-17H,3-4,7H2,1-2H3
InChIKeyJHBVTEYVWDYJTI-UHFFFAOYSA-N
XLogP0.62
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120726743
4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120726654
4-fluoro-N-(2-methylpiperidin-3-yl)-3-nitrobenzenesulfonamide
CID 114695261
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119986255
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
N-[2-bromo-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120726813
3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride
CID 120726749
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide (CID 120726470) is 3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide is CC1NCCCC1NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is JHBVTEYVWDYJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O4S2/c1-9-12(4-3-7-15-9)17-23(20,21)10-5-6-13(11(14)8-10)16-22(2,18)19/h5-6,8-9,12,15-17H,3-4,7H2,1-2H3.
What are the key properties of 3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 120726470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).