4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide

C22H21ClN2O4S — CID 5213752

IUPAC4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-15-3-5-16(6-4-15)14-24-30(27,28)19-11-12-21(29-2)20(13-19)25-22(26)17-7-9-18(23)10-8-17/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyUJGLAGGOZJBBJS-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.39
Rot. Bonds7

About 4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide

4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide (PubChem CID 5213752) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide
PubChem CID5213752
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-15-3-5-16(6-4-15)14-24-30(27,28)19-11-12-21(29-2)20(13-19)25-22(26)17-7-9-18(23)10-8-17/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyUJGLAGGOZJBBJS-UHFFFAOYSA-N
XLogP4.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide
CID 6459882
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
3-[(4-chlorobenzoyl)amino]-4-methoxybenzenesulfonic acid
CID 139946873
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058971
3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
CID 32686463
N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4793263
3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53288902
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide (CID 5213752) is 4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide is COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide?
The InChIKey is UJGLAGGOZJBBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-15-3-5-16(6-4-15)14-24-30(27,28)19-11-12-21(29-2)20(13-19)25-22(26)17-7-9-18(23)10-8-17/h3-13,24H,14H2,1-2H3,(H,25,26).
What are the key properties of 4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide?
4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide has a molecular weight of 444.94 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide is sourced from PubChem (CID 5213752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).