3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide

C19H21N5O3S — CID 46400175

IUPAC3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccnc(-n3cccn3)c2)c1
InChIInChI=1S/C19H21N5O3S/c1-14(2)23-28(26,27)17-6-3-5-16(12-17)19(25)21-13-15-7-9-20-18(11-15)24-10-4-8-22-24/h3-12,14,23H,13H2,1-2H3,(H,21,25)
InChIKeyPFSDNRIWPLPGEY-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.88
Rot. Bonds7

About 3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide

3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide (PubChem CID 46400175) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
PubChem CID46400175
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccnc(-n3cccn3)c2)c1
InChIInChI=1S/C19H21N5O3S/c1-14(2)23-28(26,27)17-6-3-5-16(12-17)19(25)21-13-15-7-9-20-18(11-15)24-10-4-8-22-24/h3-12,14,23H,13H2,1-2H3,(H,21,25)
InChIKeyPFSDNRIWPLPGEY-UHFFFAOYSA-N
XLogP1.88
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
3-(methylsulfamoyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 37312302
3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide
CID 55717730
3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753456
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide
CID 55746890
3-(prop-2-ynylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 46468352
4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
CID 120564578
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245913
N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide
CID 46585360

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide (CID 46400175) is 3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccnc(-n3cccn3)c2)c1.
What is the InChIKey of 3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is PFSDNRIWPLPGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-14(2)23-28(26,27)17-6-3-5-16(12-17)19(25)21-13-15-7-9-20-18(11-15)24-10-4-8-22-24/h3-12,14,23H,13H2,1-2H3,(H,21,25).
What are the key properties of 3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide?
3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 399.48 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 46400175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).