4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide

C14H19ClN2O2S — CID 2735724

IUPAC4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(C1CCNCC1)C1CC1
InChIInChI=1S/C14H19ClN2O2S/c15-11-1-5-14(6-2-11)20(18,19)17(12-3-4-12)13-7-9-16-10-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2
InChIKeyVPHDHADTKGTAEZ-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.25
Rot. Bonds4

About 4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide

4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 2735724) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide
PubChem CID2735724
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(C1CCNCC1)C1CC1
InChIInChI=1S/C14H19ClN2O2S/c15-11-1-5-14(6-2-11)20(18,19)17(12-3-4-12)13-7-9-16-10-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2
InChIKeyVPHDHADTKGTAEZ-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide (CID 2735724) is 4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(C1CCNCC1)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is VPHDHADTKGTAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c15-11-1-5-14(6-2-11)20(18,19)17(12-3-4-12)13-7-9-16-10-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2.
What are the key properties of 4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide?
4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 314.84 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 2735724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).