N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide

C11H14BrCl2NO2S — CID 116816507

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)CCCCCl)cc1Cl
InChIInChI=1S/C11H14BrCl2NO2S/c1-8-6-9(12)11(7-10(8)14)15-18(16,17)5-3-2-4-13/h6-7,15H,2-5H2,1H3
InChIKeyQIIHRBWIWZPFIU-UHFFFAOYSA-N
MW375.12 g/mol
LogP4.17
Rot. Bonds6

About N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide

N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide (PubChem CID 116816507) has the molecular formula C11H14BrCl2NO2S and a molecular weight of 375.12 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
PubChem CID116816507
Molecular FormulaC11H14BrCl2NO2S
Molecular Weight375.12 g/mol
Exact Mass372.93
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)CCCCCl)cc1Cl
InChIInChI=1S/C11H14BrCl2NO2S/c1-8-6-9(12)11(7-10(8)14)15-18(16,17)5-3-2-4-13/h6-7,15H,2-5H2,1H3
InChIKeyQIIHRBWIWZPFIU-UHFFFAOYSA-N
XLogP4.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.12
LogP ≤ 54.17
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

N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
CID 104725031
N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078934
N-(2-bromo-5-chloro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106078956
N-(4-bromo-5-fluoro-2-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816604
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid
CID 104722416
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 104725034
4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572
4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide
CID 116814857
3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
CID 104726640
N-(2-bromo-5-chloro-4-methylphenyl)-1,1-difluoromethanesulfonamide
CID 104724279
N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide
CID 43654223
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide (CID 116816507) is N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)CCCCCl)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide?
The InChIKey is QIIHRBWIWZPFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO2S/c1-8-6-9(12)11(7-10(8)14)15-18(16,17)5-3-2-4-13/h6-7,15H,2-5H2,1H3.
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide?
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide has a molecular weight of 375.12 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide is sourced from PubChem (CID 116816507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).