N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide

C10H7N5O2S2 — CID 25046888

IUPACN-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESN#CCc1[nH]nc(NS(=O)(=O)c2cccs2)c1C#N
InChIInChI=1S/C10H7N5O2S2/c11-4-3-8-7(6-12)10(14-13-8)15-19(16,17)9-2-1-5-18-9/h1-2,5H,3H2,(H2,13,14,15)
InChIKeyXTUDFCXFBVUPOG-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.21
Rot. Bonds4

About N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide

N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 25046888) has the molecular formula C10H7N5O2S2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID25046888
Molecular FormulaC10H7N5O2S2
Molecular Weight293.33 g/mol
Exact Mass293.00
IUPAC NameN-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESN#CCc1[nH]nc(NS(=O)(=O)c2cccs2)c1C#N
InChIInChI=1S/C10H7N5O2S2/c11-4-3-8-7(6-12)10(14-13-8)15-19(16,17)9-2-1-5-18-9/h1-2,5H,3H2,(H2,13,14,15)
InChIKeyXTUDFCXFBVUPOG-UHFFFAOYSA-N
XLogP1.21
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 75483445
CID 75483445
CID 69976724
CID 69976724
CID 69976726
CID 69976726
CID 3799442
CID 3799442
CID 14202677
CID 14202677
CID 64017097
CID 64017097
CID 75430261
CID 75430261
CID 75521891
CID 75521891
CID 84587151
CID 84587151
CID 86804390
CID 86804390
CID 103100333
CID 103100333
CID 103100335
CID 103100335

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (CID 25046888) is N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is N#CCc1[nH]nc(NS(=O)(=O)c2cccs2)c1C#N.
What is the InChIKey of N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is XTUDFCXFBVUPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2S2/c11-4-3-8-7(6-12)10(14-13-8)15-19(16,17)9-2-1-5-18-9/h1-2,5H,3H2,(H2,13,14,15).
What are the key properties of N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 293.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 25046888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).