N-(2-bromopropyl)-3-chlorobenzenesulfonamide

C9H11BrClNO2S — CID 114295767

IUPACN-(2-bromopropyl)-3-chlorobenzenesulfonamide
SMILESCC(Br)CNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H11BrClNO2S/c1-7(10)6-12-15(13,14)9-4-2-3-8(11)5-9/h2-5,7,12H,6H2,1H3
InChIKeyZCVFLAOHHPKDSG-UHFFFAOYSA-N
MW312.62 g/mol
LogP2.40
Rot. Bonds4

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

N-(2-bromopropyl)-3-chlorobenzenesulfonamide (PubChem CID 114295767) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is N-(2-bromopropyl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-3-chlorobenzenesulfonamide
PubChem CID114295767
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC NameN-(2-bromopropyl)-3-chlorobenzenesulfonamide
SMILESCC(Br)CNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H11BrClNO2S/c1-7(10)6-12-15(13,14)9-4-2-3-8(11)5-9/h2-5,7,12H,6H2,1H3
InChIKeyZCVFLAOHHPKDSG-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-bromo-3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 103493751
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 103835429
methyl 3-[(3-chlorophenyl)sulfonylamino]-2-iodopropanoate
CID 103493655
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836329
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403737
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598861
3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide
CID 75469633
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(2-bromopropyl)-3-chlorobenzenesulfonamide (CID 114295767) is N-(2-bromopropyl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromopropyl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-bromopropyl)-3-chlorobenzenesulfonamide is CC(Br)CNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(2-bromopropyl)-3-chlorobenzenesulfonamide?
The InChIKey is ZCVFLAOHHPKDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c1-7(10)6-12-15(13,14)9-4-2-3-8(11)5-9/h2-5,7,12H,6H2,1H3.
What are the key properties of N-(2-bromopropyl)-3-chlorobenzenesulfonamide?
N-(2-bromopropyl)-3-chlorobenzenesulfonamide has a molecular weight of 312.62 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 114295767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).