4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide

C23H30ClN3O3S — CID 46448626

IUPAC4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CCCCC1
InChIInChI=1S/C23H30ClN3O3S/c1-26(2)31(29,30)22-15-17(13-14-20(22)24)23(28)25-21-12-8-7-9-18(21)16-27(3)19-10-5-4-6-11-19/h7-9,12-15,19H,4-6,10-11,16H2,1-3H3,(H,25,28)
InChIKeyOBMMPAOBDWIWKD-UHFFFAOYSA-N
MW464.03 g/mol
LogP4.61
Rot. Bonds7

About 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide

4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 46448626) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID46448626
Molecular FormulaC23H30ClN3O3S
Molecular Weight464.03 g/mol
Exact Mass463.17
IUPAC Name4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CCCCC1
InChIInChI=1S/C23H30ClN3O3S/c1-26(2)31(29,30)22-15-17(13-14-20(22)24)23(28)25-21-12-8-7-9-18(21)16-27(3)19-10-5-4-6-11-19/h7-9,12-15,19H,4-6,10-11,16H2,1-3H3,(H,25,28)
InChIKeyOBMMPAOBDWIWKD-UHFFFAOYSA-N
XLogP4.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.03
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide
CID 17452883
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-methylsulfinylbenzamide
CID 55552886
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
CID 46554715
4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55983949
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 46554834
methyl 3-chloro-4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 52857530
(3S,4R)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-hydroxy-2,2-dimethyl-4-(naphthalen-1-ylsulfonylamino)-3,4-dihydrochromene-6-carboxamide
CID 54043533
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 31030404
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 29441571
N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55871483
4-chloro-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)benzamide
CID 41041121

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide (CID 46448626) is 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide is CN(Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CCCCC1.
What is the InChIKey of 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is OBMMPAOBDWIWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3S/c1-26(2)31(29,30)22-15-17(13-14-20(22)24)23(28)25-21-12-8-7-9-18(21)16-27(3)19-10-5-4-6-11-19/h7-9,12-15,19H,4-6,10-11,16H2,1-3H3,(H,25,28).
What are the key properties of 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide?
4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 464.03 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 46448626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).