2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide

C14H18N4O3S — CID 94024841

IUPAC2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1C(N)=O
InChIInChI=1S/C14H18N4O3S/c1-10-4-5-12(8-13(10)14(15)19)22(20,21)17-11(2)9-18-7-3-6-16-18/h3-8,11,17H,9H2,1-2H3,(H2,15,19)/t11-/m0/s1
InChIKeyXXDHJKZXFKYCHH-NSHDSACASA-N
MW322.39 g/mol
LogP0.66
Rot. Bonds6

About 2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide

2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide (PubChem CID 94024841) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
PubChem CID94024841
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1C(N)=O
InChIInChI=1S/C14H18N4O3S/c1-10-4-5-12(8-13(10)14(15)19)22(20,21)17-11(2)9-18-7-3-6-16-18/h3-8,11,17H,9H2,1-2H3,(H2,15,19)/t11-/m0/s1
InChIKeyXXDHJKZXFKYCHH-NSHDSACASA-N
XLogP0.66
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94181205
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 79569041
N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 97119546
N-propyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)benzamide
CID 70724305
4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106996794
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
3-amino-5-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322842
N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 97206215
5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009439

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
The IUPAC name of 2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide (CID 94024841) is 2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for 2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for 2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide is Cc1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
The InChIKey is XXDHJKZXFKYCHH-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10-4-5-12(8-13(10)14(15)19)22(20,21)17-11(2)9-18-7-3-6-16-18/h3-8,11,17H,9H2,1-2H3,(H2,15,19)/t11-/m0/s1.
What are the key properties of 2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide has a molecular weight of 322.39 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 94024841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).