4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide

C11H14Br2ClNO2S — CID 113485097

IUPAC4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
SMILESCC(CBr)C(C)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H14Br2ClNO2S/c1-7(6-12)8(2)15-18(16,17)11-4-3-9(13)5-10(11)14/h3-5,7-8,15H,6H2,1-2H3
InChIKeyUATVNRDNPDMAGN-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.80
Rot. Bonds5

About 4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide

4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide (PubChem CID 113485097) has the molecular formula C11H14Br2ClNO2S and a molecular weight of 419.57 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
PubChem CID113485097
Molecular FormulaC11H14Br2ClNO2S
Molecular Weight419.57 g/mol
Exact Mass416.88
IUPAC Name4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
SMILESCC(CBr)C(C)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H14Br2ClNO2S/c1-7(6-12)8(2)15-18(16,17)11-4-3-9(13)5-10(11)14/h3-5,7-8,15H,6H2,1-2H3
InChIKeyUATVNRDNPDMAGN-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.80
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-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400734
4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide
CID 62090104
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727
N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 65193946
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43084117

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide (CID 113485097) is 4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide is CC(CBr)C(C)NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide?
The InChIKey is UATVNRDNPDMAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2ClNO2S/c1-7(6-12)8(2)15-18(16,17)11-4-3-9(13)5-10(11)14/h3-5,7-8,15H,6H2,1-2H3.
What are the key properties of 4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide?
4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide has a molecular weight of 419.57 g/mol, XLogP of 3.80, 5 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-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 113485097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).