5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide

C10H13BrClNO2S — CID 164889460

IUPAC5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(Cl)c(Br)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C10H13BrClNO2S/c1-6(2)13-16(14,15)10-5-8(11)9(12)4-7(10)3/h4-6,13H,1-3H3
InChIKeyKYKRJYFZQXFTSZ-UHFFFAOYSA-N
MW326.64 g/mol
LogP3.10
Rot. Bonds3

About 5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide

5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 164889460) has the molecular formula C10H13BrClNO2S and a molecular weight of 326.64 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID164889460
Molecular FormulaC10H13BrClNO2S
Molecular Weight326.64 g/mol
Exact Mass324.95
IUPAC Name5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(Cl)c(Br)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C10H13BrClNO2S/c1-6(2)13-16(14,15)10-5-8(11)9(12)4-7(10)3/h4-6,13H,1-3H3
InChIKeyKYKRJYFZQXFTSZ-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.64
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-4-chloro-2-methylbenzene-1-sulfonyl chloride
CID 89310806
5-Bromo-4-chloro-2-methylbenzene-1-sulfonamide
CID 125462136
5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide
CID 146486633
5-bromo-N-isopropyl-2-methylbenzenesulfonamide
CID 8777711
5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 60660568
5-bromo-N-[(3-chlorophenyl)methyl]-2-methylbenzenesulfonamide
CID 60660575
5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 60660898
3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide
CID 63420459
3-bromo-4-chloro-N-(4-methylcycloheptyl)benzenesulfonamide
CID 105706791
3-bromo-4-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide
CID 105763595
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-4-chlorobenzenesulfonamide
CID 106356365
3-bromo-4-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106356564

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide (CID 164889460) is 5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide is Cc1cc(Cl)c(Br)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is KYKRJYFZQXFTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S/c1-6(2)13-16(14,15)10-5-8(11)9(12)4-7(10)3/h4-6,13H,1-3H3.
What are the key properties of 5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide?
5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 326.64 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 164889460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).