4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C17H16BrN3O3S — CID 75458236

IUPAC4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCC(C)c1nnc(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)o1
InChIInChI=1S/C17H16BrN3O3S/c1-11(2)16-19-20-17(24-16)21-25(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11H,1-2H3,(H,20,21)
InChIKeyDDWQIAYQHFMBEI-UHFFFAOYSA-N
MW422.30 g/mol
LogP4.42
Rot. Bonds5

About 4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 75458236) has the molecular formula C17H16BrN3O3S and a molecular weight of 422.30 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID75458236
Molecular FormulaC17H16BrN3O3S
Molecular Weight422.30 g/mol
Exact Mass421.01
IUPAC Name4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCC(C)c1nnc(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)o1
InChIInChI=1S/C17H16BrN3O3S/c1-11(2)16-19-20-17(24-16)21-25(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11H,1-2H3,(H,20,21)
InChIKeyDDWQIAYQHFMBEI-UHFFFAOYSA-N
XLogP4.42
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 14870864
N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 10620124
4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 104826666
4-(4-bromophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 86814375
N-[(4-bromophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 166175665
2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 18914695
4-ethenyl-N-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 126829171
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide
CID 90946350
4-bromo-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873498

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 75458236) is 4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is CC(C)c1nnc(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)o1.
What is the InChIKey of 4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is DDWQIAYQHFMBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3S/c1-11(2)16-19-20-17(24-16)21-25(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11H,1-2H3,(H,20,21).
What are the key properties of 4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 422.30 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 75458236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).