2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide

C23H21Br2ClN2O3S — CID 166353123

IUPAC2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Br)cc2)c1
InChIInChI=1S/C23H21Br2ClN2O3S/c1-3-27-32(30,31)19-12-13-21(25)20(14-19)23(29)28(2)22(15-4-8-17(24)9-5-15)16-6-10-18(26)11-7-16/h4-14,22,27H,3H2,1-2H3
InChIKeyHXSARTVDPAITLB-UHFFFAOYSA-N
MW600.76 g/mol
LogP6.02
Rot. Bonds7

About 2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide

2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide (PubChem CID 166353123) has the molecular formula C23H21Br2ClN2O3S and a molecular weight of 600.76 g/mol. Its IUPAC name is 2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide
PubChem CID166353123
Molecular FormulaC23H21Br2ClN2O3S
Molecular Weight600.76 g/mol
Exact Mass597.93
IUPAC Name2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Br)cc2)c1
InChIInChI=1S/C23H21Br2ClN2O3S/c1-3-27-32(30,31)19-12-13-21(25)20(14-19)23(29)28(2)22(15-4-8-17(24)9-5-15)16-6-10-18(26)11-7-16/h4-14,22,27H,3H2,1-2H3
InChIKeyHXSARTVDPAITLB-UHFFFAOYSA-N
XLogP6.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989
4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide
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CID 43398569
2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid
CID 107216066
4-bromo-3-(dimethylaminocarbamoyl)-N-(2-methylpropyl)benzenesulfonamide
CID 9180241
N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43003466
4-bromo-3-[methyl(2-methylbutyl)carbamoyl]benzenesulfonyl chloride
CID 65372268
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029
5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55913537
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43046126
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of 2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide (CID 166353123) is 2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide is CCNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide?
The InChIKey is HXSARTVDPAITLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Br2ClN2O3S/c1-3-27-32(30,31)19-12-13-21(25)20(14-19)23(29)28(2)22(15-4-8-17(24)9-5-15)16-6-10-18(26)11-7-16/h4-14,22,27H,3H2,1-2H3.
What are the key properties of 2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide?
2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide has a molecular weight of 600.76 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-bromophenyl)-(4-chlorophenyl)methyl]-5-(ethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 166353123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).