N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide

C16H18N2O4S — CID 36704961

IUPACN-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1S(N)(=O)=O
InChIInChI=1S/C16H18N2O4S/c1-10-6-11(2)8-13(7-10)18-16(19)12-4-5-14(22-3)15(9-12)23(17,20)21/h4-9H,1-3H3,(H,18,19)(H2,17,20,21)
InChIKeyYGBDABGFZJLRBF-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.21
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide

N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide (PubChem CID 36704961) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide
PubChem CID36704961
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1S(N)(=O)=O
InChIInChI=1S/C16H18N2O4S/c1-10-6-11(2)8-13(7-10)18-16(19)12-4-5-14(22-3)15(9-12)23(17,20)21/h4-9H,1-3H3,(H,18,19)(H2,17,20,21)
InChIKeyYGBDABGFZJLRBF-UHFFFAOYSA-N
XLogP2.21
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600826
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
4-chloro-N-(3,4-dimethoxyphenyl)-3-sulfamoylbenzamide
CID 26695102
N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36862429
3,5-dichloro-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 26929610
N-(3,5-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2683270
3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide
CID 46520822
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
N-(4-methoxy-3-sulfamoylphenyl)pyridazine-4-carboxamide
CID 115742535
3-(methoxymethyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 9378793
N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide (CID 36704961) is N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide is COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1S(N)(=O)=O.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide?
The InChIKey is YGBDABGFZJLRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10-6-11(2)8-13(7-10)18-16(19)12-4-5-14(22-3)15(9-12)23(17,20)21/h4-9H,1-3H3,(H,18,19)(H2,17,20,21).
What are the key properties of N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide?
N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide has a molecular weight of 334.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide is sourced from PubChem (CID 36704961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).