N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide

C21H25ClN2O4S — CID 26094766

IUPACN-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C21H25ClN2O4S/c1-24(17-8-4-3-5-9-17)29(26,27)18-10-6-7-15(13-18)21(25)23-19-14-16(22)11-12-20(19)28-2/h6-7,10-14,17H,3-5,8-9H2,1-2H3,(H,23,25)
InChIKeyCNBADAZOIDYLKM-UHFFFAOYSA-N
MW436.96 g/mol
LogP4.55
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide

N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide (PubChem CID 26094766) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
PubChem CID26094766
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C21H25ClN2O4S/c1-24(17-8-4-3-5-9-17)29(26,27)18-10-6-7-15(13-18)21(25)23-19-14-16(22)11-12-20(19)28-2/h6-7,10-14,17H,3-5,8-9H2,1-2H3,(H,23,25)
InChIKeyCNBADAZOIDYLKM-UHFFFAOYSA-N
XLogP4.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 118695528
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3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
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N-(4-chloro-2-methoxy-5-methylphenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
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N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
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CID 1331504
3-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]benzamide
CID 55528915
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 26095075
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CID 4003550

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide (CID 26094766) is N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide is COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide?
The InChIKey is CNBADAZOIDYLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-24(17-8-4-3-5-9-17)29(26,27)18-10-6-7-15(13-18)21(25)23-19-14-16(22)11-12-20(19)28-2/h6-7,10-14,17H,3-5,8-9H2,1-2H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide?
N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide has a molecular weight of 436.96 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 26094766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).