5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide

C10H10N4O2S2 — CID 114166204

IUPAC5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H10N4O2S2/c1-7-8(5-12-14-7)6-13-18(15,16)10-3-2-9(4-11)17-10/h2-3,5,13H,6H2,1H3,(H,12,14)
InChIKeyVXBZSUADEGZLCT-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.13
Rot. Bonds4

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

5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 114166204) has the molecular formula C10H10N4O2S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID114166204
Molecular FormulaC10H10N4O2S2
Molecular Weight282.35 g/mol
Exact Mass282.02
IUPAC Name5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H10N4O2S2/c1-7-8(5-12-14-7)6-13-18(15,16)10-3-2-9(4-11)17-10/h2-3,5,13H,6H2,1H3,(H,12,14)
InChIKeyVXBZSUADEGZLCT-UHFFFAOYSA-N
XLogP1.13
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106272939
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015128
5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 106267722
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106272938
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021
2-amino-4-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 64899567
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 54896202
5-cyano-N-(1,3-thiazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106269137
4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 61301349
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 106268602
6-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62151905

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 114166204) is 5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide is Cc1[nH]ncc1CNS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is VXBZSUADEGZLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S2/c1-7-8(5-12-14-7)6-13-18(15,16)10-3-2-9(4-11)17-10/h2-3,5,13H,6H2,1H3,(H,12,14).
What are the key properties of 5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide?
5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 282.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 114166204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).