N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide

C10H13BrClNO2S — CID 114298498

IUPACN-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide
SMILESCC(C)(CBr)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13BrClNO2S/c1-10(2,7-11)13-16(14,15)9-5-3-8(12)4-6-9/h3-6,13H,7H2,1-2H3
InChIKeyZCTHKOAPLLVJRW-UHFFFAOYSA-N
MW326.64 g/mol
LogP2.79
Rot. Bonds4

About N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide

N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide (PubChem CID 114298498) has the molecular formula C10H13BrClNO2S and a molecular weight of 326.64 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide
PubChem CID114298498
Molecular FormulaC10H13BrClNO2S
Molecular Weight326.64 g/mol
Exact Mass324.95
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide
SMILESCC(C)(CBr)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13BrClNO2S/c1-10(2,7-11)13-16(14,15)9-5-3-8(12)4-6-9/h3-6,13H,7H2,1-2H3
InChIKeyZCTHKOAPLLVJRW-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.64
LogP ≤ 52.79
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-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
N-[1-bromo-2-(4-chlorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 11774034
N-(1-bromo-2-methylpropan-2-yl)-3,4-dimethylbenzenesulfonamide
CID 114298501
4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
CID 110440463
4-chloro-N-[3-(chloromethyl)pentan-3-yl]benzenesulfonamide
CID 65032275
4-chloro-N-[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]benzenesulfonamide
CID 21178372
4-chloro-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide
CID 8795320
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
4-chloro-N-[1-[4-(2-cyanoethyl)piperazine-1,4-diium-1-yl]-2-methylpropan-2-yl]benzenesulfonamide
CID 2261027
2-[(4-chlorophenyl)sulfonylamino]-2-ethylbutanethioamide
CID 61124089
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
N-[1-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide
CID 1086088

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide (CID 114298498) is N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide is CC(C)(CBr)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide?
The InChIKey is ZCTHKOAPLLVJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S/c1-10(2,7-11)13-16(14,15)9-5-3-8(12)4-6-9/h3-6,13H,7H2,1-2H3.
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide?
N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide has a molecular weight of 326.64 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 114298498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).