N-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide

C23H24BrCl2N5O3S — CID 166347135

IUPACN-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NC2CCC(c3cn(-c4ccc(Br)c(Cl)c4)nn3)CC2)ccc1Cl
InChIInChI=1S/C23H24BrCl2N5O3S/c1-30(2)35(33,34)22-11-15(5-10-19(22)25)23(32)27-16-6-3-14(4-7-16)21-13-31(29-28-21)17-8-9-18(24)20(26)12-17/h5,8-14,16H,3-4,6-7H2,1-2H3,(H,27,32)
InChIKeyWXPQOMMBDXCESD-UHFFFAOYSA-N
MW601.35 g/mol
LogP5.04
Rot. Bonds6

About N-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide

N-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide (PubChem CID 166347135) has the molecular formula C23H24BrCl2N5O3S and a molecular weight of 601.35 g/mol. Its IUPAC name is N-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
PubChem CID166347135
Molecular FormulaC23H24BrCl2N5O3S
Molecular Weight601.35 g/mol
Exact Mass599.02
IUPAC NameN-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NC2CCC(c3cn(-c4ccc(Br)c(Cl)c4)nn3)CC2)ccc1Cl
InChIInChI=1S/C23H24BrCl2N5O3S/c1-30(2)35(33,34)22-11-15(5-10-19(22)25)23(32)27-16-6-3-14(4-7-16)21-13-31(29-28-21)17-8-9-18(24)20(26)12-17/h5,8-14,16H,3-4,6-7H2,1-2H3,(H,27,32)
InChIKeyWXPQOMMBDXCESD-UHFFFAOYSA-N
XLogP5.04
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.35
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide
CID 43000186
4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 33302522
4-chloro-N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 9165471
4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide
CID 26244416
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
4-chloro-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)benzamide
CID 41041121
4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376
3-bromo-4-(dimethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454444
3-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]propanoic acid
CID 107613372
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
CID 81308175
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide (CID 166347135) is N-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NC2CCC(c3cn(-c4ccc(Br)c(Cl)c4)nn3)CC2)ccc1Cl.
What is the InChIKey of N-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide?
The InChIKey is WXPQOMMBDXCESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrCl2N5O3S/c1-30(2)35(33,34)22-11-15(5-10-19(22)25)23(32)27-16-6-3-14(4-7-16)21-13-31(29-28-21)17-8-9-18(24)20(26)12-17/h5,8-14,16H,3-4,6-7H2,1-2H3,(H,27,32).
What are the key properties of N-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide?
N-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide has a molecular weight of 601.35 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]cyclohexyl]-4-chloro-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 166347135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).