3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C13H21ClFN3O4S2 — CID 119965840

IUPAC3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCN(C1CCNCC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1.Cl
InChIInChI=1S/C13H20FN3O4S2.ClH/c1-17(10-5-7-15-8-6-10)23(20,21)11-3-4-13(12(14)9-11)16-22(2,18)19;/h3-4,9-10,15-16H,5-8H2,1-2H3;1H
InChIKeyTZZUJHAWYCOBSM-UHFFFAOYSA-N
MW401.91 g/mol
LogP0.99
Rot. Bonds5

About 3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 119965840) has the molecular formula C13H21ClFN3O4S2 and a molecular weight of 401.91 g/mol. Its IUPAC name is 3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID119965840
Molecular FormulaC13H21ClFN3O4S2
Molecular Weight401.91 g/mol
Exact Mass401.06
IUPAC Name3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCN(C1CCNCC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1.Cl
InChIInChI=1S/C13H20FN3O4S2.ClH/c1-17(10-5-7-15-8-6-10)23(20,21)11-3-4-13(12(14)9-11)16-22(2,18)19;/h3-4,9-10,15-16H,5-8H2,1-2H3;1H
InChIKeyTZZUJHAWYCOBSM-UHFFFAOYSA-N
XLogP0.99
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.91
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride with MolForge

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Related Compounds

3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993908
4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 103828881
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
2-fluoro-5-[methyl(piperidin-4-yl)sulfamoyl]benzoic acid
CID 61403448
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977160
N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119966044
3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79119655
N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119978705
methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 119966118
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 119965724

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 119965840) is 3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is CN(C1CCNCC1)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1.Cl.
What is the InChIKey of 3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is TZZUJHAWYCOBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O4S2.ClH/c1-17(10-5-7-15-8-6-10)23(20,21)11-3-4-13(12(14)9-11)16-22(2,18)19;/h3-4,9-10,15-16H,5-8H2,1-2H3;1H.
What are the key properties of 3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 401.91 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119965840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).