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

C14H18N4O4S — CID 94181205

IUPAC2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1C(N)=O
InChIInChI=1S/C14H18N4O4S/c1-10(9-18-7-3-6-16-18)17-23(20,21)11-4-5-13(22-2)12(8-11)14(15)19/h3-8,10,17H,9H2,1-2H3,(H2,15,19)/t10-/m0/s1
InChIKeyPLKFNYOFCVSXMI-JTQLQIEISA-N
MW338.39 g/mol
LogP0.36
Rot. Bonds7

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

2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide (PubChem CID 94181205) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
PubChem CID94181205
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1C(N)=O
InChIInChI=1S/C14H18N4O4S/c1-10(9-18-7-3-6-16-18)17-23(20,21)11-4-5-13(22-2)12(8-11)14(15)19/h3-8,10,17H,9H2,1-2H3,(H2,15,19)/t10-/m0/s1
InChIKeyPLKFNYOFCVSXMI-JTQLQIEISA-N
XLogP0.36
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94024841
2-methoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 39331258
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65192963
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-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 97119546
4-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81440827
N-propyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)benzamide
CID 70724305

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
The IUPAC name of 2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide (CID 94181205) is 2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide is COc1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
The InChIKey is PLKFNYOFCVSXMI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-10(9-18-7-3-6-16-18)17-23(20,21)11-4-5-13(22-2)12(8-11)14(15)19/h3-8,10,17H,9H2,1-2H3,(H2,15,19)/t10-/m0/s1.
What are the key properties of 2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide?
2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide has a molecular weight of 338.39 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 94181205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).