3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide

C17H19N3O3S — CID 87041364

IUPAC3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1
InChIInChI=1S/C17H19N3O3S/c1-12-4-2-6-15(19-12)11-18-17(21)13-5-3-7-16(10-13)24(22,23)20-14-8-9-14/h2-7,10,14,20H,8-9,11H2,1H3,(H,18,21)
InChIKeySHYHJERQKQIGFG-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.76
Rot. Bonds6

About 3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide

3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 87041364) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID87041364
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1
InChIInChI=1S/C17H19N3O3S/c1-12-4-2-6-15(19-12)11-18-17(21)13-5-3-7-16(10-13)24(22,23)20-14-8-9-14/h2-7,10,14,20H,8-9,11H2,1H3,(H,18,21)
InChIKeySHYHJERQKQIGFG-UHFFFAOYSA-N
XLogP1.76
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041602
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide
CID 26121096
N-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylsulfamoyl)benzamide
CID 18105121
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 51953853
N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39821970
3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249979
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119495504

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide (CID 87041364) is 3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide is Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is SHYHJERQKQIGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-4-2-6-15(19-12)11-18-17(21)13-5-3-7-16(10-13)24(22,23)20-14-8-9-14/h2-7,10,14,20H,8-9,11H2,1H3,(H,18,21).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 345.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 87041364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).