N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide

C14H18N4O3S — CID 87003942

IUPACN-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCS(=O)(=O)NCc2ccccc2)cn1
InChIInChI=1S/C14H18N4O3S/c1-18-11-13(10-16-18)14(19)15-7-8-22(20,21)17-9-12-5-3-2-4-6-12/h2-6,10-11,17H,7-9H2,1H3,(H,15,19)
InChIKeyRTYOZDJWHYEKEQ-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.27
Rot. Bonds7

About N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide

N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 87003942) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID87003942
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCS(=O)(=O)NCc2ccccc2)cn1
InChIInChI=1S/C14H18N4O3S/c1-18-11-13(10-16-18)14(19)15-7-8-22(20,21)17-9-12-5-3-2-4-6-12/h2-6,10-11,17H,7-9H2,1H3,(H,15,19)
InChIKeyRTYOZDJWHYEKEQ-UHFFFAOYSA-N
XLogP0.27
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
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CID 64991757
N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide
CID 55795602
4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
CID 7618448
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide
CID 55795806
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide
CID 74230410
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
N-[2-(benzylsulfamoyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119723679

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide (CID 87003942) is N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCCS(=O)(=O)NCc2ccccc2)cn1.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is RTYOZDJWHYEKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-18-11-13(10-16-18)14(19)15-7-8-22(20,21)17-9-12-5-3-2-4-6-12/h2-6,10-11,17H,7-9H2,1H3,(H,15,19).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide?
N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 87003942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).