3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide

C21H19BrN2O3S — CID 1355932

IUPAC3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C21H19BrN2O3S/c1-15-7-8-17(21(25)24-19-11-9-18(22)10-12-19)13-20(15)28(26,27)23-14-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyACLDCZYPYNTGAH-UHFFFAOYSA-N
MW459.37 g/mol
LogP4.49
Rot. Bonds6

About 3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide

3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide (PubChem CID 1355932) has the molecular formula C21H19BrN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide
PubChem CID1355932
Molecular FormulaC21H19BrN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.03
IUPAC Name3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C21H19BrN2O3S/c1-15-7-8-17(21(25)24-19-11-9-18(22)10-12-19)13-20(15)28(26,27)23-14-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyACLDCZYPYNTGAH-UHFFFAOYSA-N
XLogP4.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 54.49
H-Bond Donors ≤ 52
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-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 6461347
3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzene-1-sulfonamide
CID 24816976
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
4-methyl-N-phenyl-3-(phenylsulfamoyl)benzamide
CID 1246311
3-(azepan-1-ylsulfonyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 1250097
3-[(diethylamino)sulfonyl]-N-(3-methylphenyl)benzamide
CID 789345
3-(cyclopentylsulfamoyl)-N-phenylbenzamide
CID 793738
N-(4-Bromophenyl)-4-methyl-3-(morpholine-4-sulfonyl)benzamide
CID 1119024

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide (CID 1355932) is 3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide?
The InChIKey is ACLDCZYPYNTGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S/c1-15-7-8-17(21(25)24-19-11-9-18(22)10-12-19)13-20(15)28(26,27)23-14-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of 3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide?
3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide has a molecular weight of 459.37 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide is sourced from PubChem (CID 1355932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).