N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide

C16H22N4O3S — CID 97119546

IUPACN-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1
InChIInChI=1S/C16H22N4O3S/c1-3-9-17-16(21)14-5-7-15(8-6-14)24(22,23)19-13(2)12-20-11-4-10-18-20/h4-8,10-11,13,19H,3,9,12H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyNDWYHMCWSFHQBV-ZDUSSCGKSA-N
MW350.44 g/mol
LogP1.39
Rot. Bonds8

About N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide

N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide (PubChem CID 97119546) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
PubChem CID97119546
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1
InChIInChI=1S/C16H22N4O3S/c1-3-9-17-16(21)14-5-7-15(8-6-14)24(22,23)19-13(2)12-20-11-4-10-18-20/h4-8,10-11,13,19H,3,9,12H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyNDWYHMCWSFHQBV-ZDUSSCGKSA-N
XLogP1.39
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)benzamide
CID 70724305
2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94024841
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 97206215
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94181205
4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43064966
2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 61052500
6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 115602607
N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421967
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 94023228
4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 43007097

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
The IUPAC name of N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide (CID 97119546) is N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide is CCCNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1.
What is the InChIKey of N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
The InChIKey is NDWYHMCWSFHQBV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-3-9-17-16(21)14-5-7-15(8-6-14)24(22,23)19-13(2)12-20-11-4-10-18-20/h4-8,10-11,13,19H,3,9,12H2,1-2H3,(H,17,21)/t13-/m0/s1.
What are the key properties of N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide has a molecular weight of 350.44 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 97119546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).