4-bromo-N-(5-chloropentyl)benzenesulfonamide

C11H15BrClNO2S — CID 107322747

IUPAC4-bromo-N-(5-chloropentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCCl)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrClNO2S/c12-10-4-6-11(7-5-10)17(15,16)14-9-3-1-2-8-13/h4-7,14H,1-3,8-9H2
InChIKeyMWBPAYXRJINJEA-UHFFFAOYSA-N
MW340.67 g/mol
LogP3.14
Rot. Bonds7

About 4-bromo-N-(5-chloropentyl)benzenesulfonamide

4-bromo-N-(5-chloropentyl)benzenesulfonamide (PubChem CID 107322747) has the molecular formula C11H15BrClNO2S and a molecular weight of 340.67 g/mol. Its IUPAC name is 4-bromo-N-(5-chloropentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloropentyl)benzenesulfonamide
PubChem CID107322747
Molecular FormulaC11H15BrClNO2S
Molecular Weight340.67 g/mol
Exact Mass338.97
IUPAC Name4-bromo-N-(5-chloropentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCCl)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrClNO2S/c12-10-4-6-11(7-5-10)17(15,16)14-9-3-1-2-8-13/h4-7,14H,1-3,8-9H2
InChIKeyMWBPAYXRJINJEA-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.67
LogP ≤ 53.14
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-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
CID 107849139
N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
CID 107849118
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
CID 106846555
3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 114008802
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-[3-[4-(4-bromophenoxy)phenoxy]propyl]-4-chlorobenzenesulfonamide
CID 142055492
tert-butyl N-[7-[(4-bromophenyl)sulfonylamino]heptyl]carbamate
CID 164863853
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide
CID 4569214
N-(3-chloropropyl)-4-cyanobenzenesulfonamide
CID 43133775

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloropentyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-chloropentyl)benzenesulfonamide (CID 107322747) is 4-bromo-N-(5-chloropentyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-chloropentyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-chloropentyl)benzenesulfonamide is O=S(=O)(NCCCCCCl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-chloropentyl)benzenesulfonamide?
The InChIKey is MWBPAYXRJINJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S/c12-10-4-6-11(7-5-10)17(15,16)14-9-3-1-2-8-13/h4-7,14H,1-3,8-9H2.
What are the key properties of 4-bromo-N-(5-chloropentyl)benzenesulfonamide?
4-bromo-N-(5-chloropentyl)benzenesulfonamide has a molecular weight of 340.67 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloropentyl)benzenesulfonamide is sourced from PubChem (CID 107322747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).