3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide

C17H22N4O4S — CID 97187261

IUPAC3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide
SMILESCc1cc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC3)c2)n(C)n1
InChIInChI=1S/C17H22N4O4S/c1-12-8-15(21(2)20-12)10-18-26(23,24)16-5-3-4-13(9-16)17(22)19-14-6-7-25-11-14/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyYFWYHDCYAKERPA-CQSZACIVSA-N
MW378.45 g/mol
LogP0.73
Rot. Bonds6

About 3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide

3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide (PubChem CID 97187261) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide
PubChem CID97187261
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide
SMILESCc1cc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC3)c2)n(C)n1
InChIInChI=1S/C17H22N4O4S/c1-12-8-15(21(2)20-12)10-18-26(23,24)16-5-3-4-13(9-16)17(22)19-14-6-7-25-11-14/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyYFWYHDCYAKERPA-CQSZACIVSA-N
XLogP0.73
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide
CID 97187419
3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide
CID 72939397
N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide
CID 74242784
3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 97202366
N-cyclopentyl-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 72867764
3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125174867
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
CID 97192873
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77097621
3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide
CID 125169993

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide (CID 97187261) is 3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide is Cc1cc(CNS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCOC3)c2)n(C)n1.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide?
The InChIKey is YFWYHDCYAKERPA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-12-8-15(21(2)20-12)10-18-26(23,24)16-5-3-4-13(9-16)17(22)19-14-6-7-25-11-14/h3-5,8-9,14,18H,6-7,10-11H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide?
3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide is sourced from PubChem (CID 97187261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).