4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide

C22H26ClN3O4S — CID 163836914

IUPAC4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)ccc1Cl
InChIInChI=1S/C22H26ClN3O4S/c1-15-13-17(9-12-20(15)23)21(27)24-14-16-7-10-19(11-8-16)31(29,30)26-22(28)25-18-5-3-2-4-6-18/h7-13,18H,2-6,14H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyOINWCAQCLCHLAG-UHFFFAOYSA-N
MW463.99 g/mol
LogP3.90
Rot. Bonds6

About 4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide

4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide (PubChem CID 163836914) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide
PubChem CID163836914
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)ccc1Cl
InChIInChI=1S/C22H26ClN3O4S/c1-15-13-17(9-12-20(15)23)21(27)24-14-16-7-10-19(11-8-16)31(29,30)26-22(28)25-18-5-3-2-4-6-18/h7-13,18H,2-6,14H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyOINWCAQCLCHLAG-UHFFFAOYSA-N
XLogP3.90
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methyl-N-[[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]methyl]benzamide
CID 154385571
4-chloro-3-methyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
CID 21388992
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 10346554
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
CID 112990970
N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide
CID 115736978
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
cerium;5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
CID 88767103
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide
CID 44567440
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide?
The IUPAC name of 4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide (CID 163836914) is 4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide is Cc1cc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide?
The InChIKey is OINWCAQCLCHLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-15-13-17(9-12-20(15)23)21(27)24-14-16-7-10-19(11-8-16)31(29,30)26-22(28)25-18-5-3-2-4-6-18/h7-13,18H,2-6,14H2,1H3,(H,24,27)(H2,25,26,28).
What are the key properties of 4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide?
4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide has a molecular weight of 463.99 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(cyclohexylcarbamoylsulfamoyl)phenyl]methyl]-3-methylbenzamide is sourced from PubChem (CID 163836914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).