N-(3-bromopropyl)-2-chlorobenzenesulfonamide

C9H11BrClNO2S — CID 43133713

IUPACN-(3-bromopropyl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCCBr)c1ccccc1Cl
InChIInChI=1S/C9H11BrClNO2S/c10-6-3-7-12-15(13,14)9-5-2-1-4-8(9)11/h1-2,4-5,12H,3,6-7H2
InChIKeyWVZZQAGDACNADK-UHFFFAOYSA-N
MW312.62 g/mol
LogP2.40
Rot. Bonds5

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

N-(3-bromopropyl)-2-chlorobenzenesulfonamide (PubChem CID 43133713) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-chlorobenzenesulfonamide
PubChem CID43133713
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC NameN-(3-bromopropyl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCCBr)c1ccccc1Cl
InChIInChI=1S/C9H11BrClNO2S/c10-6-3-7-12-15(13,14)9-5-2-1-4-8(9)11/h1-2,4-5,12H,3,6-7H2
InChIKeyWVZZQAGDACNADK-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 52.40
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

2-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 114008764
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
CID 39364398
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154
2-chloro-N-[4-(4-chlorophenoxy)butyl]benzenesulfonamide
CID 17475981
4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76948260
N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704321
2-chloro-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
CID 86931251
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 113066442

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(3-bromopropyl)-2-chlorobenzenesulfonamide (CID 43133713) is N-(3-bromopropyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-2-chlorobenzenesulfonamide is O=S(=O)(NCCCBr)c1ccccc1Cl.
What is the InChIKey of N-(3-bromopropyl)-2-chlorobenzenesulfonamide?
The InChIKey is WVZZQAGDACNADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c10-6-3-7-12-15(13,14)9-5-2-1-4-8(9)11/h1-2,4-5,12H,3,6-7H2.
What are the key properties of N-(3-bromopropyl)-2-chlorobenzenesulfonamide?
N-(3-bromopropyl)-2-chlorobenzenesulfonamide has a molecular weight of 312.62 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 43133713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).