4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide

C9H12N4O2S2 — CID 61299582

IUPAC4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(N)cs2)cn1
InChIInChI=1S/C9H12N4O2S2/c1-2-13-5-8(4-11-13)12-17(14,15)9-3-7(10)6-16-9/h3-6,12H,2,10H2,1H3
InChIKeyKAMGDMPXWZSBLP-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.35
Rot. Bonds4

About 4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide

4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide (PubChem CID 61299582) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
PubChem CID61299582
Molecular FormulaC9H12N4O2S2
Molecular Weight272.36 g/mol
Exact Mass272.04
IUPAC Name4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(N)cs2)cn1
InChIInChI=1S/C9H12N4O2S2/c1-2-13-5-8(4-11-13)12-17(14,15)9-3-7(10)6-16-9/h3-6,12H,2,10H2,1H3
InChIKeyKAMGDMPXWZSBLP-UHFFFAOYSA-N
XLogP1.35
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide (CID 61299582) is 4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide is CCn1cc(NS(=O)(=O)c2cc(N)cs2)cn1.
What is the InChIKey of 4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is KAMGDMPXWZSBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-2-13-5-8(4-11-13)12-17(14,15)9-3-7(10)6-16-9/h3-6,12H,2,10H2,1H3.
What are the key properties of 4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide?
4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 272.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 61299582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).