N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

C15H14BrN3O3S — CID 56931306

IUPACN-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrN3O3S/c16-11-2-1-3-12(10-11)18-23(21,22)14-6-4-13(5-7-14)19-9-8-17-15(19)20/h1-7,10,18H,8-9H2,(H,17,20)
InChIKeySOTGVSFKCUIRKQ-UHFFFAOYSA-N
MW396.27 g/mol
LogP2.78
Rot. Bonds4

About N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 56931306) has the molecular formula C15H14BrN3O3S and a molecular weight of 396.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID56931306
Molecular FormulaC15H14BrN3O3S
Molecular Weight396.27 g/mol
Exact Mass394.99
IUPAC NameN-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrN3O3S/c16-11-2-1-3-12(10-11)18-23(21,22)14-6-4-13(5-7-14)19-9-8-17-15(19)20/h1-7,10,18H,8-9H2,(H,17,20)
InChIKeySOTGVSFKCUIRKQ-UHFFFAOYSA-N
XLogP2.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2,4-Difluorophenyl)-2-oxoimidazolidin-1-yl]benzenesulfonamide
CID 124174639
3-(4-Bromo-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10524714
4-(3-(4-Bromophenyl)ureido)benzenesulfonamide
CID 27869982
N-(4-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372090
N-(3,4-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372095
4-(2-oxoimidazolidin-1-yl)-N-phenylbenzenesulfonamide
CID 53372354
1-(4-Bromo-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea
CID 56836370
N-(4-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56931424
N-(4-iodophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56931425
2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4806474
N-(3-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822294
N-(3-bromophenyl)-4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 145983242

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (CID 56931306) is N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is O=C1NCCN1c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is SOTGVSFKCUIRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3S/c16-11-2-1-3-12(10-11)18-23(21,22)14-6-4-13(5-7-14)19-9-8-17-15(19)20/h1-7,10,18H,8-9H2,(H,17,20).
What are the key properties of N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 396.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 56931306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).