3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide

C22H27ClN2O6S — CID 26711027

IUPAC3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide
SMILESCOc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCC(O)CC3)c2)cc1Cl
InChIInChI=1S/C22H27ClN2O6S/c1-25(19-12-18(23)20(30-2)13-21(19)31-3)32(28,29)17-6-4-5-14(11-17)22(27)24-15-7-9-16(26)10-8-15/h4-6,11-13,15-16,26H,7-10H2,1-3H3,(H,24,27)
InChIKeyJTMFQQHZFJBOOT-UHFFFAOYSA-N
MW482.99 g/mol
LogP3.22
Rot. Bonds7

About 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide

3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide (PubChem CID 26711027) has the molecular formula C22H27ClN2O6S and a molecular weight of 482.99 g/mol. Its IUPAC name is 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide
PubChem CID26711027
Molecular FormulaC22H27ClN2O6S
Molecular Weight482.99 g/mol
Exact Mass482.13
IUPAC Name3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide
SMILESCOc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCC(O)CC3)c2)cc1Cl
InChIInChI=1S/C22H27ClN2O6S/c1-25(19-12-18(23)20(30-2)13-21(19)31-3)32(28,29)17-6-4-5-14(11-17)22(27)24-15-7-9-16(26)10-8-15/h4-6,11-13,15-16,26H,7-10H2,1-3H3,(H,24,27)
InChIKeyJTMFQQHZFJBOOT-UHFFFAOYSA-N
XLogP3.22
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-methylphenyl)benzamide
CID 2081686
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide
CID 2081743
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2119551
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]benzoate
CID 3683258
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553641
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050788
N-cyclopropyl-3-[(3,4-dimethoxyphenyl)sulfamoyl]benzamide
CID 109062347
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46680640

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide?
The IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide (CID 26711027) is 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide?
The canonical SMILES for 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide is COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCC(O)CC3)c2)cc1Cl.
What is the InChIKey of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide?
The InChIKey is JTMFQQHZFJBOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O6S/c1-25(19-12-18(23)20(30-2)13-21(19)31-3)32(28,29)17-6-4-5-14(11-17)22(27)24-15-7-9-16(26)10-8-15/h4-6,11-13,15-16,26H,7-10H2,1-3H3,(H,24,27).
What are the key properties of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide?
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide has a molecular weight of 482.99 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 26711027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).