3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide

C14H20Cl2N2O2S — CID 4826424

IUPAC3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H20Cl2N2O2S/c1-10(2)18-7-5-11(6-8-18)17-21(19,20)12-3-4-13(15)14(16)9-12/h3-4,9-11,17H,5-8H2,1-2H3
InChIKeyUZQYJQSJAXLUOE-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.14
Rot. Bonds4

About 3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide

3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide (PubChem CID 4826424) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
PubChem CID4826424
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H20Cl2N2O2S/c1-10(2)18-7-5-11(6-8-18)17-21(19,20)12-3-4-13(15)14(16)9-12/h3-4,9-11,17H,5-8H2,1-2H3
InChIKeyUZQYJQSJAXLUOE-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide (CID 4826424) is 3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide is CC(C)N1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is UZQYJQSJAXLUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-10(2)18-7-5-11(6-8-18)17-21(19,20)12-3-4-13(15)14(16)9-12/h3-4,9-11,17H,5-8H2,1-2H3.
What are the key properties of 3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide?
3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 4826424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).