N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide

C22H21BrN2O3S — CID 126367263

IUPACN-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc(Br)c3)cc2)cc1
InChIInChI=1S/C22H21BrN2O3S/c1-16-5-10-19(11-6-16)25-29(27,28)21-12-7-17(8-13-21)9-14-22(26)24-20-4-2-3-18(23)15-20/h2-8,10-13,15,25H,9,14H2,1H3,(H,24,26)
InChIKeyVBTMQCDLSYISPL-UHFFFAOYSA-N
MW473.39 g/mol
LogP5.13
Rot. Bonds7

About N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide

N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 126367263) has the molecular formula C22H21BrN2O3S and a molecular weight of 473.39 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
PubChem CID126367263
Molecular FormulaC22H21BrN2O3S
Molecular Weight473.39 g/mol
Exact Mass472.05
IUPAC NameN-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc(Br)c3)cc2)cc1
InChIInChI=1S/C22H21BrN2O3S/c1-16-5-10-19(11-6-16)25-29(27,28)21-12-7-17(8-13-21)9-14-22(26)24-20-4-2-3-18(23)15-20/h2-8,10-13,15,25H,9,14H2,1H3,(H,24,26)
InChIKeyVBTMQCDLSYISPL-UHFFFAOYSA-N
XLogP5.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.39
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126363159
N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3627107
N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 126268267
4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
CID 126368002
3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide
CID 126256740
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 2234602
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-propan-2-ylpropanamide
CID 126356786
N-(2-methoxyphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 1254823
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
methyl 5-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]-1-benzothiophene-2-carboxylate
CID 28557273

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide (CID 126367263) is N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide is Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc(Br)c3)cc2)cc1.
What is the InChIKey of N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is VBTMQCDLSYISPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3S/c1-16-5-10-19(11-6-16)25-29(27,28)21-12-7-17(8-13-21)9-14-22(26)24-20-4-2-3-18(23)15-20/h2-8,10-13,15,25H,9,14H2,1H3,(H,24,26).
What are the key properties of N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 473.39 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 126367263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).