4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide

C10H12Br2ClNO2S — CID 116815572

IUPAC4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H12Br2ClNO2S/c11-8-3-4-10(9(12)7-8)14-17(15,16)6-2-1-5-13/h3-4,7,14H,1-2,5-6H2
InChIKeyKVMAXJZAJTYLKN-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.97
Rot. Bonds6

About 4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide

4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide (PubChem CID 116815572) has the molecular formula C10H12Br2ClNO2S and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
PubChem CID116815572
Molecular FormulaC10H12Br2ClNO2S
Molecular Weight405.54 g/mol
Exact Mass402.86
IUPAC Name4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H12Br2ClNO2S/c11-8-3-4-10(9(12)7-8)14-17(15,16)6-2-1-5-13/h3-4,7,14H,1-2,5-6H2
InChIKeyKVMAXJZAJTYLKN-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.97
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-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 106003329
N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide
CID 43654223
4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid
CID 43705525
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816507
N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide
CID 106003339
4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide
CID 107602655
4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide
CID 116815122
3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide
CID 81263929
N-(4-bromo-5-fluoro-2-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816604
N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide
CID 107650897
4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide
CID 116814857
4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide
CID 116815061

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide (CID 116815572) is 4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide is O=S(=O)(CCCCCl)Nc1ccc(Br)cc1Br.
What is the InChIKey of 4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide?
The InChIKey is KVMAXJZAJTYLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2ClNO2S/c11-8-3-4-10(9(12)7-8)14-17(15,16)6-2-1-5-13/h3-4,7,14H,1-2,5-6H2.
What are the key properties of 4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide?
4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide has a molecular weight of 405.54 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide is sourced from PubChem (CID 116815572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).