3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide

C18H14BrNO4S2 — CID 1310237

IUPAC3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)c1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H14BrNO4S2/c19-14-6-4-7-15(12-14)20-26(23,24)18-11-5-10-17(13-18)25(21,22)16-8-2-1-3-9-16/h1-13,20H
InChIKeyDLBFQZHTLLJYEK-UHFFFAOYSA-N
MW452.35 g/mol
LogP4.08
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide

3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide (PubChem CID 1310237) has the molecular formula C18H14BrNO4S2 and a molecular weight of 452.35 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
PubChem CID1310237
Molecular FormulaC18H14BrNO4S2
Molecular Weight452.35 g/mol
Exact Mass450.95
IUPAC Name3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)c1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H14BrNO4S2/c19-14-6-4-7-15(12-14)20-26(23,24)18-11-5-10-17(13-18)25(21,22)16-8-2-1-3-9-16/h1-13,20H
InChIKeyDLBFQZHTLLJYEK-UHFFFAOYSA-N
XLogP4.08
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 56688809
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide
CID 17247609
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622073
3-bromo-N-(3-ethynylphenyl)benzenesulfonamide
CID 16615708
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
3-(aminomethyl)-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106061491
3-methylsulfonyl-N-phenylbenzenesulfonamide
CID 6461889
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide (CID 1310237) is 3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(Br)c1)c1cccc(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide?
The InChIKey is DLBFQZHTLLJYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO4S2/c19-14-6-4-7-15(12-14)20-26(23,24)18-11-5-10-17(13-18)25(21,22)16-8-2-1-3-9-16/h1-13,20H.
What are the key properties of 3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide?
3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide has a molecular weight of 452.35 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide is sourced from PubChem (CID 1310237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).