4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide

C9H10BrCl2NO2S — CID 60639454

IUPAC4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H10BrCl2NO2S/c1-5(2)13-16(14,15)9-7(11)3-6(10)4-8(9)12/h3-5,13H,1-2H3
InChIKeyKEVSCNJHRWONNQ-UHFFFAOYSA-N
MW347.06 g/mol
LogP3.44
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide

4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide (PubChem CID 60639454) has the molecular formula C9H10BrCl2NO2S and a molecular weight of 347.06 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide
PubChem CID60639454
Molecular FormulaC9H10BrCl2NO2S
Molecular Weight347.06 g/mol
Exact Mass344.90
IUPAC Name4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H10BrCl2NO2S/c1-5(2)13-16(14,15)9-7(11)3-6(10)4-8(9)12/h3-5,13H,1-2H3
InChIKeyKEVSCNJHRWONNQ-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.06
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide (CID 60639454) is 4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is KEVSCNJHRWONNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl2NO2S/c1-5(2)13-16(14,15)9-7(11)3-6(10)4-8(9)12/h3-5,13H,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide?
4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 347.06 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 60639454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).