3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide

C16H15BrN2O3S — CID 24816976

IUPAC3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)N1CCC1
InChIInChI=1S/C16H15BrN2O3S/c17-13-5-7-14(8-6-13)18-23(21,22)15-4-1-3-12(11-15)16(20)19-9-2-10-19/h1,3-8,11,18H,2,9-10H2
InChIKeyULEIKUAOCNMSIO-UHFFFAOYSA-N
MW395.28 g/mol
LogP3.10
Rot. Bonds4

About 3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide

3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide (PubChem CID 24816976) has the molecular formula C16H15BrN2O3S and a molecular weight of 395.28 g/mol. Its IUPAC name is 3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide
PubChem CID24816976
Molecular FormulaC16H15BrN2O3S
Molecular Weight395.28 g/mol
Exact Mass394.00
IUPAC Name3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)N1CCC1
InChIInChI=1S/C16H15BrN2O3S/c17-13-5-7-14(8-6-13)18-23(21,22)15-4-1-3-12(11-15)16(20)19-9-2-10-19/h1,3-8,11,18H,2,9-10H2
InChIKeyULEIKUAOCNMSIO-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-((benzylamino)sulfonyl)-4-bromo-N-(4-bromophenyl)benzamide
CID 1039737
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
CID 1328033
N-(4-bromophenyl) 3-(4-bromophenylaminosulfonyl)benzamide
CID 1076689
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-(2-bromo-5-methylphenyl)-3-(3-oxopiperazine-1-carbonyl)benzenesulfonamide
CID 16292738
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide
CID 1355932
N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108581
Ethyl 4-[3-[(4-bromophenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 24983114
3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 25163735
4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide
CID 1110928
N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
CID 3605573

Frequently Asked Questions

What is the IUPAC name of 3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide?
The IUPAC name of 3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide (CID 24816976) is 3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide.
What is the SMILES notation for 3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide?
The canonical SMILES for 3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)N1CCC1.
What is the InChIKey of 3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide?
The InChIKey is ULEIKUAOCNMSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3S/c17-13-5-7-14(8-6-13)18-23(21,22)15-4-1-3-12(11-15)16(20)19-9-2-10-19/h1,3-8,11,18H,2,9-10H2.
What are the key properties of 3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide?
3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide has a molecular weight of 395.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzenesulfonamide is sourced from PubChem (CID 24816976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).