N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

C15H19N3O4S — CID 31233255

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(C)n1C
InChIInChI=1S/C15H19N3O4S/c1-10-4-5-11(18(10)2)9-17-15(19)13-8-12(23(16,20)21)6-7-14(13)22-3/h4-8H,9H2,1-3H3,(H,17,19)(H2,16,20,21)
InChIKeyUYWXVEJFFSFFSV-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.92
Rot. Bonds5

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide (PubChem CID 31233255) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
PubChem CID31233255
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(C)n1C
InChIInChI=1S/C15H19N3O4S/c1-10-4-5-11(18(10)2)9-17-15(19)13-8-12(23(16,20)21)6-7-14(13)22-3/h4-8H,9H2,1-3H3,(H,17,19)(H2,16,20,21)
InChIKeyUYWXVEJFFSFFSV-UHFFFAOYSA-N
XLogP0.92
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 9495729
N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55947717
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 71900376
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride
CID 120828882
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 4794585
2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
CID 3075862
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 31217476

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide (CID 31233255) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(C)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is UYWXVEJFFSFFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10-4-5-11(18(10)2)9-17-15(19)13-8-12(23(16,20)21)6-7-14(13)22-3/h4-8H,9H2,1-3H3,(H,17,19)(H2,16,20,21).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 337.40 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 31233255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).