N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide

C18H17N3O3S — CID 38971731

IUPACN-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C18H17N3O3S/c1-19-25(23,24)15-7-4-5-13(11-15)12-20-18(22)17-10-9-14-6-2-3-8-16(14)21-17/h2-11,19H,12H2,1H3,(H,20,22)
InChIKeyPPKYTXMRVACESQ-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.07
Rot. Bonds5

About N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide

N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide (PubChem CID 38971731) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide
PubChem CID38971731
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C18H17N3O3S/c1-19-25(23,24)15-7-4-5-13(11-15)12-20-18(22)17-10-9-14-6-2-3-8-16(14)21-17/h2-11,19H,12H2,1H3,(H,20,22)
InChIKeyPPKYTXMRVACESQ-UHFFFAOYSA-N
XLogP2.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
CID 4785409
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 34687096
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide
CID 17408613
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
CID 34640881
5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
CID 34646544
2-(2-ethylbenzimidazol-1-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34641233
2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55933427
2-methyl-1-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 110915238
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide
CID 121165463
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide?
The IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide (CID 38971731) is N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)c2ccc3ccccc3n2)c1.
What is the InChIKey of N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide?
The InChIKey is PPKYTXMRVACESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-19-25(23,24)15-7-4-5-13(11-15)12-20-18(22)17-10-9-14-6-2-3-8-16(14)21-17/h2-11,19H,12H2,1H3,(H,20,22).
What are the key properties of N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide?
N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 38971731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).