4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide

C12H16Br2ClNO2S — CID 114298824

IUPAC4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide
SMILESCCC(CCBr)CNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16Br2ClNO2S/c1-2-9(5-6-13)8-16-19(17,18)12-4-3-10(14)7-11(12)15/h3-4,7,9,16H,2,5-6,8H2,1H3
InChIKeyBYXQVVYOBUIOTA-UHFFFAOYSA-N
MW433.59 g/mol
LogP4.19
Rot. Bonds7

About 4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide

4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide (PubChem CID 114298824) has the molecular formula C12H16Br2ClNO2S and a molecular weight of 433.59 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide
PubChem CID114298824
Molecular FormulaC12H16Br2ClNO2S
Molecular Weight433.59 g/mol
Exact Mass430.90
IUPAC Name4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide
SMILESCCC(CCBr)CNS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16Br2ClNO2S/c1-2-9(5-6-13)8-16-19(17,18)12-4-3-10(14)7-11(12)15/h3-4,7,9,16H,2,5-6,8H2,1H3
InChIKeyBYXQVVYOBUIOTA-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 54.19
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

4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide
CID 113271487
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
4-bromo-N-(4-bromo-2,2-dimethylbutyl)-2-chlorobenzenesulfonamide
CID 106145779
4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 113318776
4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65110641
4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727
4-bromo-2-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256254
N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 65193946
4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 55735040
4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153584

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide (CID 114298824) is 4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide is CCC(CCBr)CNS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide?
The InChIKey is BYXQVVYOBUIOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2ClNO2S/c1-2-9(5-6-13)8-16-19(17,18)12-4-3-10(14)7-11(12)15/h3-4,7,9,16H,2,5-6,8H2,1H3.
What are the key properties of 4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide?
4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide has a molecular weight of 433.59 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 114298824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).