N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide

C22H27ClN2O5S — CID 42997457

IUPACN-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCCC2C)c1
InChIInChI=1S/C22H27ClN2O5S/c1-14-6-4-5-7-17(14)25-31(27,28)21-12-15(8-10-20(21)30-3)22(26)24-18-13-16(23)9-11-19(18)29-2/h8-14,17,25H,4-7H2,1-3H3,(H,24,26)
InChIKeyVUJAXDUBVDLPTI-UHFFFAOYSA-N
MW466.99 g/mol
LogP4.47
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide

N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide (PubChem CID 42997457) has the molecular formula C22H27ClN2O5S and a molecular weight of 466.99 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
PubChem CID42997457
Molecular FormulaC22H27ClN2O5S
Molecular Weight466.99 g/mol
Exact Mass466.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCCC2C)c1
InChIInChI=1S/C22H27ClN2O5S/c1-14-6-4-5-7-17(14)25-31(27,28)21-12-15(8-10-20(21)30-3)22(26)24-18-13-16(23)9-11-19(18)29-2/h8-14,17,25H,4-7H2,1-3H3,(H,24,26)
InChIKeyVUJAXDUBVDLPTI-UHFFFAOYSA-N
XLogP4.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 2565157
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42997848
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46644366
4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
CID 2466564
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 43012308
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 16552462
4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 30282957
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501
cyanomethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 46607885
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127
2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 46522904

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide (CID 42997457) is N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCCC2C)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide?
The InChIKey is VUJAXDUBVDLPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O5S/c1-14-6-4-5-7-17(14)25-31(27,28)21-12-15(8-10-20(21)30-3)22(26)24-18-13-16(23)9-11-19(18)29-2/h8-14,17,25H,4-7H2,1-3H3,(H,24,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide?
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide has a molecular weight of 466.99 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide is sourced from PubChem (CID 42997457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).