N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide

C10H13N3O2S2 — CID 22207845

IUPACN-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCCn1ccc(CNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C10H13N3O2S2/c1-2-13-6-5-9(12-13)8-11-17(14,15)10-4-3-7-16-10/h3-7,11H,2,8H2,1H3
InChIKeyYWLMABNVHSCSBN-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.44
Rot. Bonds5

About N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide

N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 22207845) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID22207845
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCCn1ccc(CNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C10H13N3O2S2/c1-2-13-6-5-9(12-13)8-11-17(14,15)10-4-3-7-16-10/h3-7,11H,2,8H2,1H3
InChIKeyYWLMABNVHSCSBN-UHFFFAOYSA-N
XLogP1.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide (CID 22207845) is N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide is CCn1ccc(CNS(=O)(=O)c2cccs2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is YWLMABNVHSCSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-2-13-6-5-9(12-13)8-11-17(14,15)10-4-3-7-16-10/h3-7,11H,2,8H2,1H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22207845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).