3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide

C15H15BrClNO2S — CID 63420459

IUPAC3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1cccc(Cl)c1)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrClNO2S/c1-11(8-12-4-2-6-14(17)9-12)18-21(19,20)15-7-3-5-13(16)10-15/h2-7,9-11,18H,8H2,1H3
InChIKeyKGMZIIBARCWSTD-UHFFFAOYSA-N
MW388.71 g/mol
LogP4.01
Rot. Bonds5

About 3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide

3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide (PubChem CID 63420459) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is 3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide
PubChem CID63420459
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC Name3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1cccc(Cl)c1)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrClNO2S/c1-11(8-12-4-2-6-14(17)9-12)18-21(19,20)15-7-3-5-13(16)10-15/h2-7,9-11,18H,8H2,1H3
InChIKeyKGMZIIBARCWSTD-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide (CID 63420459) is 3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide is CC(Cc1cccc(Cl)c1)NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide?
The InChIKey is KGMZIIBARCWSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-11(8-12-4-2-6-14(17)9-12)18-21(19,20)15-7-3-5-13(16)10-15/h2-7,9-11,18H,8H2,1H3.
What are the key properties of 3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide?
3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide has a molecular weight of 388.71 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(3-chlorophenyl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 63420459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).