N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide

C13H20N2O4S2 — CID 95310247

IUPACN-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
SMILESCCS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H20N2O4S2/c1-2-20(16,17)15-10-6-7-12(11-15)14-21(18,19)13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3/t12-/m0/s1
InChIKeyXDISVYOKRRCGPD-LBPRGKRZSA-N
MW332.45 g/mol
LogP0.78
Rot. Bonds5

About N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide

N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide (PubChem CID 95310247) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
PubChem CID95310247
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
SMILESCCS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H20N2O4S2/c1-2-20(16,17)15-10-6-7-12(11-15)14-21(18,19)13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3/t12-/m0/s1
InChIKeyXDISVYOKRRCGPD-LBPRGKRZSA-N
XLogP0.78
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
CID 162749983
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide
CID 91241867
N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide
CID 95331654
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214
3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride
CID 56802015
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
ethyl N-[(3S)-1-[2-(benzenesulfonamido)ethylsulfonyl]piperidin-3-yl]carbamate
CID 96540850
N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]benzenesulfonamide
CID 75375180
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 56801932
N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 95599233

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide (CID 95310247) is N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide is CCS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide?
The InChIKey is XDISVYOKRRCGPD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-2-20(16,17)15-10-6-7-12(11-15)14-21(18,19)13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3/t12-/m0/s1.
What are the key properties of N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide?
N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95310247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).