4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide

C9H10Br2ClNO2S — CID 43133710

IUPAC4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCCBr)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H10Br2ClNO2S/c10-4-1-5-13-16(14,15)9-3-2-7(11)6-8(9)12/h2-3,6,13H,1,4-5H2
InChIKeyAHVLEYXIDDMLNW-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.17
Rot. Bonds5

About 4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide

4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide (PubChem CID 43133710) has the molecular formula C9H10Br2ClNO2S and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
PubChem CID43133710
Molecular FormulaC9H10Br2ClNO2S
Molecular Weight391.51 g/mol
Exact Mass388.85
IUPAC Name4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCCBr)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H10Br2ClNO2S/c10-4-1-5-13-16(14,15)9-3-2-7(11)6-8(9)12/h2-3,6,13H,1,4-5H2
InChIKeyAHVLEYXIDDMLNW-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 61073372
4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 113238999
N-(4-azidobutyl)-4-bromo-2-chlorobenzenesulfonamide
CID 106387039
4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide
CID 60640063
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
4-bromo-N-(4-bromo-2,2-dimethylbutyl)-2-chlorobenzenesulfonamide
CID 106145779
4-bromo-2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide
CID 8025065
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290
4-bromo-2-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040495
4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide
CID 114298824

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide (CID 43133710) is 4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide is O=S(=O)(NCCCBr)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide?
The InChIKey is AHVLEYXIDDMLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2ClNO2S/c10-4-1-5-13-16(14,15)9-3-2-7(11)6-8(9)12/h2-3,6,13H,1,4-5H2.
What are the key properties of 4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide?
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide has a molecular weight of 391.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 43133710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).