5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide

C10H9ClN4O2S2 — CID 91651974

IUPAC5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2n[nH]c(C)c2C#N)sc1Cl
InChIInChI=1S/C10H9ClN4O2S2/c1-5-3-8(18-9(5)11)19(16,17)15-10-7(4-12)6(2)13-14-10/h3H,1-2H3,(H2,13,14,15)
InChIKeyUUTVJVZGGFXLSJ-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.41
Rot. Bonds3

About 5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide

5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide (PubChem CID 91651974) has the molecular formula C10H9ClN4O2S2 and a molecular weight of 316.80 g/mol. Its IUPAC name is 5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide
PubChem CID91651974
Molecular FormulaC10H9ClN4O2S2
Molecular Weight316.80 g/mol
Exact Mass315.99
IUPAC Name5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2n[nH]c(C)c2C#N)sc1Cl
InChIInChI=1S/C10H9ClN4O2S2/c1-5-3-8(18-9(5)11)19(16,17)15-10-7(4-12)6(2)13-14-10/h3H,1-2H3,(H2,13,14,15)
InChIKeyUUTVJVZGGFXLSJ-UHFFFAOYSA-N
XLogP2.41
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 100668364
5-chloro-4-methyl-N-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 103100304
2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide
CID 86803070
5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 103099977
N-(4-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099477
5-chloro-N-(1-cyanopropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 103099943
5-chloro-4-methyl-N-(5-methyl-1,2-oxazol-4-yl)thiophene-2-sulfonamide
CID 91651936
5-chloro-N-(6-chloropyrazin-2-yl)-4-methylthiophene-2-sulfonamide
CID 103100875
N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 86791972
N-(4-bromo-2-pyridinyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103100106
N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide
CID 75448897
N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099480

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide (CID 91651974) is 5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2n[nH]c(C)c2C#N)sc1Cl.
What is the InChIKey of 5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide?
The InChIKey is UUTVJVZGGFXLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S2/c1-5-3-8(18-9(5)11)19(16,17)15-10-7(4-12)6(2)13-14-10/h3H,1-2H3,(H2,13,14,15).
What are the key properties of 5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide?
5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide has a molecular weight of 316.80 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 91651974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).