N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide

C16H18N2O4S — CID 6459882

IUPACN-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide
SMILESCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H18N2O4S/c1-11-4-6-12(7-5-11)16(19)18-14-10-13(23(20,21)17-2)8-9-15(14)22-3/h4-10,17H,1-3H3,(H,18,19)
InChIKeyQQDPWJDBXPZFKQ-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.16
Rot. Bonds5

About N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide

N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide (PubChem CID 6459882) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide
PubChem CID6459882
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide
SMILESCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H18N2O4S/c1-11-4-6-12(7-5-11)16(19)18-14-10-13(23(20,21)17-2)8-9-15(14)22-3/h4-10,17H,1-3H3,(H,18,19)
InChIKeyQQDPWJDBXPZFKQ-UHFFFAOYSA-N
XLogP2.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide
CID 5213752
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058971
4-tert-butyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 30399035
4-[(4-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 26709820
N-(2-methoxy-5-nitrophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1251026
3-[(4-chlorobenzoyl)amino]-4-methoxybenzenesulfonic acid
CID 139946873
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
CID 26848789
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
3-benzamido-4-methoxybenzenesulfonyl chloride
CID 43140030
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide (CID 6459882) is N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide is CNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide?
The InChIKey is QQDPWJDBXPZFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-11-4-6-12(7-5-11)16(19)18-14-10-13(23(20,21)17-2)8-9-15(14)22-3/h4-10,17H,1-3H3,(H,18,19).
What are the key properties of N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide?
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide has a molecular weight of 334.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 6459882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).