2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

C15H23ClN2O2S — CID 16887518

IUPAC2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-12(2)18-9-7-13(8-10-18)11-17-21(19,20)15-6-4-3-5-14(15)16/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyUUOGATSNPMMFAB-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.74
Rot. Bonds5

About 2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887518) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887518
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-12(2)18-9-7-13(8-10-18)11-17-21(19,20)15-6-4-3-5-14(15)16/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyUUOGATSNPMMFAB-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887518) is 2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is CC(C)N1CCC(CNS(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is UUOGATSNPMMFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-12(2)18-9-7-13(8-10-18)11-17-21(19,20)15-6-4-3-5-14(15)16/h3-6,12-13,17H,7-11H2,1-2H3.
What are the key properties of 2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).