4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide

C13H18N2O3S — CID 99819157

IUPAC4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCNC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-10(16)11-4-6-13(7-5-11)19(17,18)15-12-3-2-8-14-9-12/h4-7,12,14-15H,2-3,8-9H2,1H3/t12-/m0/s1
InChIKeyAGTIWIHLTQNDKD-LBPRGKRZSA-N
MW282.37 g/mol
LogP0.92
Rot. Bonds4

About 4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide

4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide (PubChem CID 99819157) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
PubChem CID99819157
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCNC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-10(16)11-4-6-13(7-5-11)19(17,18)15-12-3-2-8-14-9-12/h4-7,12,14-15H,2-3,8-9H2,1H3/t12-/m0/s1
InChIKeyAGTIWIHLTQNDKD-LBPRGKRZSA-N
XLogP0.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide (CID 99819157) is 4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCNC2)cc1.
What is the InChIKey of 4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The InChIKey is AGTIWIHLTQNDKD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10(16)11-4-6-13(7-5-11)19(17,18)15-12-3-2-8-14-9-12/h4-7,12,14-15H,2-3,8-9H2,1H3/t12-/m0/s1.
What are the key properties of 4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 99819157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).