2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide

C14H19BrN2O2S — CID 17456002

IUPAC2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(C2CC2)CC1)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O2S/c15-13-3-1-2-4-14(13)20(18,19)16-11-7-9-17(10-8-11)12-5-6-12/h1-4,11-12,16H,5-10H2
InChIKeyDDSQSHUCZLHDNA-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.35
Rot. Bonds4

About 2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide

2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide (PubChem CID 17456002) has the molecular formula C14H19BrN2O2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide
PubChem CID17456002
Molecular FormulaC14H19BrN2O2S
Molecular Weight359.29 g/mol
Exact Mass358.04
IUPAC Name2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(C2CC2)CC1)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O2S/c15-13-3-1-2-4-14(13)20(18,19)16-11-7-9-17(10-8-11)12-5-6-12/h1-4,11-12,16H,5-10H2
InChIKeyDDSQSHUCZLHDNA-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide (CID 17456002) is 2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide is O=S(=O)(NC1CCN(C2CC2)CC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is DDSQSHUCZLHDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2S/c15-13-3-1-2-4-14(13)20(18,19)16-11-7-9-17(10-8-11)12-5-6-12/h1-4,11-12,16H,5-10H2.
What are the key properties of 2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide?
2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 359.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclopropylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 17456002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).