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

C10H13BrClNO2S — CID 91758565

IUPAC4-bromo-2-chloro-5-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C)c(Cl)cc1Br
InChIInChI=1S/C10H13BrClNO2S/c1-6(2)13-16(14,15)10-4-7(3)8(11)5-9(10)12/h4-6,13H,1-3H3
InChIKeySOBATIJCHOJSLM-UHFFFAOYSA-N
MW326.64 g/mol
LogP3.10
Rot. Bonds3

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

4-bromo-2-chloro-5-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 91758565) has the molecular formula C10H13BrClNO2S and a molecular weight of 326.64 g/mol. Its IUPAC name is 4-bromo-2-chloro-5-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-5-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID91758565
Molecular FormulaC10H13BrClNO2S
Molecular Weight326.64 g/mol
Exact Mass324.95
IUPAC Name4-bromo-2-chloro-5-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)C)c(Cl)cc1Br
InChIInChI=1S/C10H13BrClNO2S/c1-6(2)13-16(14,15)10-4-7(3)8(11)5-9(10)12/h4-6,13H,1-3H3
InChIKeySOBATIJCHOJSLM-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-5-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-5-methyl-N-propan-2-ylbenzenesulfonamide (CID 91758565) is 4-bromo-2-chloro-5-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-5-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-5-methyl-N-propan-2-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)C)c(Cl)cc1Br.
What is the InChIKey of 4-bromo-2-chloro-5-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is SOBATIJCHOJSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S/c1-6(2)13-16(14,15)10-4-7(3)8(11)5-9(10)12/h4-6,13H,1-3H3.
What are the key properties of 4-bromo-2-chloro-5-methyl-N-propan-2-ylbenzenesulfonamide?
4-bromo-2-chloro-5-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 4-bromo-2-chloro-5-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 91758565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).