N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide

C15H20N4O4S — CID 70773821

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide
SMILESCc1cc(CNC(=O)c2ccc(S(=O)(=O)NCCO)cc2)n(C)n1
InChIInChI=1S/C15H20N4O4S/c1-11-9-13(19(2)18-11)10-16-15(21)12-3-5-14(6-4-12)24(22,23)17-7-8-20/h3-6,9,17,20H,7-8,10H2,1-2H3,(H,16,21)
InChIKeyOUMGOQWIAHEEHW-UHFFFAOYSA-N
MW352.42 g/mol
LogP-0.07
Rot. Bonds7

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide (PubChem CID 70773821) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide
PubChem CID70773821
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide
SMILESCc1cc(CNC(=O)c2ccc(S(=O)(=O)NCCO)cc2)n(C)n1
InChIInChI=1S/C15H20N4O4S/c1-11-9-13(19(2)18-11)10-16-15(21)12-3-5-14(6-4-12)24(22,23)17-7-8-20/h3-6,9,17,20H,7-8,10H2,1-2H3,(H,16,21)
InChIKeyOUMGOQWIAHEEHW-UHFFFAOYSA-N
XLogP-0.07
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 19294436
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19294390
N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
CID 74250263
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239674
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19292730
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
4-(2-hydroxyethylsulfamoyl)benzoic acid
CID 15944537
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19292744
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 146123555

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide (CID 70773821) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide is Cc1cc(CNC(=O)c2ccc(S(=O)(=O)NCCO)cc2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide?
The InChIKey is OUMGOQWIAHEEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-11-9-13(19(2)18-11)10-16-15(21)12-3-5-14(6-4-12)24(22,23)17-7-8-20/h3-6,9,17,20H,7-8,10H2,1-2H3,(H,16,21).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide has a molecular weight of 352.42 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide is sourced from PubChem (CID 70773821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).