4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide

C20H23BrN2O3S — CID 24582523

IUPAC4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)C2CC2)cc1
InChIInChI=1S/C20H23BrN2O3S/c1-13-4-6-14(7-5-13)19(15-8-9-15)22-20(24)16-10-11-17(21)18(12-16)27(25,26)23(2)3/h4-7,10-12,15,19H,8-9H2,1-3H3,(H,22,24)
InChIKeyFNOIPKCMMVAUDS-UHFFFAOYSA-N
MW451.39 g/mol
LogP3.89
Rot. Bonds6

About 4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide

4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 24582523) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is 4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID24582523
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC Name4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)C2CC2)cc1
InChIInChI=1S/C20H23BrN2O3S/c1-13-4-6-14(7-5-13)19(15-8-9-15)22-20(24)16-10-11-17(21)18(12-16)27(25,26)23(2)3/h4-7,10-12,15,19H,8-9H2,1-3H3,(H,22,24)
InChIKeyFNOIPKCMMVAUDS-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 43037303
N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24625890
N-[cyclopropyl-(4-methylphenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51296386
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 24625885
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 41015961
N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46516145
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 26775018
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethoxy-3-nitrobenzamide
CID 24625895
4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 9451752

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide (CID 24582523) is 4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide is Cc1ccc(C(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)C2CC2)cc1.
What is the InChIKey of 4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is FNOIPKCMMVAUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c1-13-4-6-14(7-5-13)19(15-8-9-15)22-20(24)16-10-11-17(21)18(12-16)27(25,26)23(2)3/h4-7,10-12,15,19H,8-9H2,1-3H3,(H,22,24).
What are the key properties of 4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide?
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 451.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 24582523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).