4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

C15H21BrN2O2S — CID 106630089

IUPAC4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C15H21BrN2O2S/c16-12-4-8-15(9-5-12)21(19,20)18(14-6-7-14)11-13-3-1-2-10-17-13/h4-5,8-9,13-14,17H,1-3,6-7,10-11H2
InChIKeyVEMCVEGKHUSEMI-UHFFFAOYSA-N
MW373.32 g/mol
LogP2.74
Rot. Bonds5

About 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106630089) has the molecular formula C15H21BrN2O2S and a molecular weight of 373.32 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
PubChem CID106630089
Molecular FormulaC15H21BrN2O2S
Molecular Weight373.32 g/mol
Exact Mass372.05
IUPAC Name4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C15H21BrN2O2S/c16-12-4-8-15(9-5-12)21(19,20)18(14-6-7-14)11-13-3-1-2-10-17-13/h4-5,8-9,13-14,17H,1-3,6-7,10-11H2
InChIKeyVEMCVEGKHUSEMI-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 ≤ 500373.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630030
N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599587
4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 107650210
3-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630056
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599551
5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106630061
2-[2-(4-bromophenyl)sulfonylethyl]piperidine
CID 134086037
N-cyclopropyl-2,6-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599513
2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615516
N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106599498
N-(dimethylsulfamoyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106630069

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (CID 106630089) is 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(Br)cc1)N(CC1CCCCN1)C1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is VEMCVEGKHUSEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2S/c16-12-4-8-15(9-5-12)21(19,20)18(14-6-7-14)11-13-3-1-2-10-17-13/h4-5,8-9,13-14,17H,1-3,6-7,10-11H2.
What are the key properties of 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 373.32 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 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106630089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).