N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide

C9H9N5O2S2 — CID 106272939

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2cn[nH]c2N)s1
InChIInChI=1S/C9H9N5O2S2/c10-3-7-1-2-8(17-7)18(15,16)13-5-6-4-12-14-9(6)11/h1-2,4,13H,5H2,(H3,11,12,14)
InChIKeyBXEXAQRNECUZAQ-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.40
Rot. Bonds4

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide (PubChem CID 106272939) has the molecular formula C9H9N5O2S2 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
PubChem CID106272939
Molecular FormulaC9H9N5O2S2
Molecular Weight283.34 g/mol
Exact Mass283.02
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2cn[nH]c2N)s1
InChIInChI=1S/C9H9N5O2S2/c10-3-7-1-2-8(17-7)18(15,16)13-5-6-4-12-14-9(6)11/h1-2,4,13H,5H2,(H3,11,12,14)
InChIKeyBXEXAQRNECUZAQ-UHFFFAOYSA-N
XLogP0.40
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 114166204
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106272938
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 79530004
5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106267194
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide
CID 79529225
5-cyano-N-(1,3-thiazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106269137
N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106265208
5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 106267722
N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide
CID 79530915
N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide
CID 79530165
5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 114166198
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide
CID 79531198

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide (CID 106272939) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCc2cn[nH]c2N)s1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide?
The InChIKey is BXEXAQRNECUZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S2/c10-3-7-1-2-8(17-7)18(15,16)13-5-6-4-12-14-9(6)11/h1-2,4,13H,5H2,(H3,11,12,14).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide has a molecular weight of 283.34 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106272939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).