5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide

C10H10N4O2S2 — CID 106268817

IUPAC5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2ccc(C#N)s2)n1
InChIInChI=1S/C10H10N4O2S2/c1-14-5-4-8(13-14)7-12-18(15,16)10-3-2-9(6-11)17-10/h2-5,12H,7H2,1H3
InChIKeyTXVDVLYNAWAWGL-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.83
Rot. Bonds4

About 5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide

5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106268817) has the molecular formula C10H10N4O2S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID106268817
Molecular FormulaC10H10N4O2S2
Molecular Weight282.35 g/mol
Exact Mass282.02
IUPAC Name5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2ccc(C#N)s2)n1
InChIInChI=1S/C10H10N4O2S2/c1-14-5-4-8(13-14)7-12-18(15,16)10-3-2-9(6-11)17-10/h2-5,12H,7H2,1H3
InChIKeyTXVDVLYNAWAWGL-UHFFFAOYSA-N
XLogP0.83
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106269751
4-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873625
3-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872695
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106272938
5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106268698
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021
4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484
5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 106267722
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 114166198

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide (CID 106268817) is 5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide is Cn1ccc(CNS(=O)(=O)c2ccc(C#N)s2)n1.
What is the InChIKey of 5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is TXVDVLYNAWAWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S2/c1-14-5-4-8(13-14)7-12-18(15,16)10-3-2-9(6-11)17-10/h2-5,12H,7H2,1H3.
What are the key properties of 5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 282.35 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106268817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).