5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide

C11H11ClN4O2S2 — CID 91651977

IUPAC5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide
SMILESCCn1ncc(C#N)c1NS(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H11ClN4O2S2/c1-3-16-11(8(5-13)6-14-16)15-20(17,18)9-4-7(2)10(12)19-9/h4,6,15H,3H2,1-2H3
InChIKeyDVCBGJUNUYXABI-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.60
Rot. Bonds4

About 5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide

5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide (PubChem CID 91651977) has the molecular formula C11H11ClN4O2S2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide
PubChem CID91651977
Molecular FormulaC11H11ClN4O2S2
Molecular Weight330.82 g/mol
Exact Mass330.00
IUPAC Name5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide
SMILESCCn1ncc(C#N)c1NS(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H11ClN4O2S2/c1-3-16-11(8(5-13)6-14-16)15-20(17,18)9-4-7(2)10(12)19-9/h4,6,15H,3H2,1-2H3
InChIKeyDVCBGJUNUYXABI-UHFFFAOYSA-N
XLogP2.60
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide (CID 91651977) is 5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide is CCn1ncc(C#N)c1NS(=O)(=O)c1cc(C)c(Cl)s1.
What is the InChIKey of 5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide?
The InChIKey is DVCBGJUNUYXABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S2/c1-3-16-11(8(5-13)6-14-16)15-20(17,18)9-4-7(2)10(12)19-9/h4,6,15H,3H2,1-2H3.
What are the key properties of 5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide?
5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide has a molecular weight of 330.82 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyano-1-ethylpyrazol-5-yl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 91651977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).