3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide

C15H17BrN2O4S2 — CID 26966432

IUPAC3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2O4S2/c1-11(2)17-23(19,20)14-8-6-13(7-9-14)18-24(21,22)15-5-3-4-12(16)10-15/h3-11,17-18H,1-2H3
InChIKeyHANVBGHNVXNIHP-UHFFFAOYSA-N
MW433.35 g/mol
LogP2.94
Rot. Bonds6

About 3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide

3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 26966432) has the molecular formula C15H17BrN2O4S2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID26966432
Molecular FormulaC15H17BrN2O4S2
Molecular Weight433.35 g/mol
Exact Mass431.98
IUPAC Name3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2O4S2/c1-11(2)17-23(19,20)14-8-6-13(7-9-14)18-24(21,22)15-5-3-4-12(16)10-15/h3-11,17-18H,1-2H3
InChIKeyHANVBGHNVXNIHP-UHFFFAOYSA-N
XLogP2.94
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
3-[[(4-bromophenyl)sulfonylamino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 35395491
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
3-bromo-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide
CID 5147367
3-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64642680
3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856633
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590
(2S,3R)-2-[(3-bromophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 28828771

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide (CID 26966432) is 3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is HANVBGHNVXNIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4S2/c1-11(2)17-23(19,20)14-8-6-13(7-9-14)18-24(21,22)15-5-3-4-12(16)10-15/h3-11,17-18H,1-2H3.
What are the key properties of 3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide?
3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 433.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 26966432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).