3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide

C23H23ClN2O4S — CID 32746652

IUPAC3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H23ClN2O4S/c1-15-9-10-18(23(27)26-20-11-16(2)19(24)13-21(20)30-3)12-22(15)31(28,29)25-14-17-7-5-4-6-8-17/h4-13,25H,14H2,1-3H3,(H,26,27)
InChIKeyMOPWCWGTDCOLHH-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.70
Rot. Bonds7

About 3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide

3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide (PubChem CID 32746652) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
PubChem CID32746652
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H23ClN2O4S/c1-15-9-10-18(23(27)26-20-11-16(2)19(24)13-21(20)30-3)12-22(15)31(28,29)25-14-17-7-5-4-6-8-17/h4-13,25H,14H2,1-3H3,(H,26,27)
InChIKeyMOPWCWGTDCOLHH-UHFFFAOYSA-N
XLogP4.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
CID 32686463
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 24544897
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 35623422
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 46581552
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 4783224
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
3-(benzylsulfamoyl)-4-chloro-N-methoxybenzamide
CID 52563097

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide (CID 32746652) is 3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide?
The InChIKey is MOPWCWGTDCOLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-15-9-10-18(23(27)26-20-11-16(2)19(24)13-21(20)30-3)12-22(15)31(28,29)25-14-17-7-5-4-6-8-17/h4-13,25H,14H2,1-3H3,(H,26,27).
What are the key properties of 3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide?
3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide has a molecular weight of 458.97 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 32746652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).