4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide

C13H17BrClNO2S — CID 102873427

IUPAC4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1)N(CCCCl)C1CCC1
InChIInChI=1S/C13H17BrClNO2S/c14-11-5-7-13(8-6-11)19(17,18)16(10-2-9-15)12-3-1-4-12/h5-8,12H,1-4,9-10H2
InChIKeyNQXYSXOFDLBBQM-UHFFFAOYSA-N
MW366.71 g/mol
LogP3.62
Rot. Bonds6

About 4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide

4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide (PubChem CID 102873427) has the molecular formula C13H17BrClNO2S and a molecular weight of 366.71 g/mol. Its IUPAC name is 4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide
PubChem CID102873427
Molecular FormulaC13H17BrClNO2S
Molecular Weight366.71 g/mol
Exact Mass364.99
IUPAC Name4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1)N(CCCCl)C1CCC1
InChIInChI=1S/C13H17BrClNO2S/c14-11-5-7-13(8-6-11)19(17,18)16(10-2-9-15)12-3-1-4-12/h5-8,12H,1-4,9-10H2
InChIKeyNQXYSXOFDLBBQM-UHFFFAOYSA-N
XLogP3.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.71
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide 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

4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide
CID 102873415
N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873356
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1167474
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54983714
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-bromo-N-cyclohexylbenzenesulfonamide
CID 42700904
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 1342586
2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide
CID 102873388
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide
CID 63396941
N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide
CID 102873383

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide (CID 102873427) is 4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide is O=S(=O)(c1ccc(Br)cc1)N(CCCCl)C1CCC1.
What is the InChIKey of 4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide?
The InChIKey is NQXYSXOFDLBBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2S/c14-11-5-7-13(8-6-11)19(17,18)16(10-2-9-15)12-3-1-4-12/h5-8,12H,1-4,9-10H2.
What are the key properties of 4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide?
4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide has a molecular weight of 366.71 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide is sourced from PubChem (CID 102873427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).