5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide

C15H21N3O2S2 — CID 90613943

IUPAC5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCn2ncc3c2CCCC3)s1
InChIInChI=1S/C15H21N3O2S2/c1-2-13-7-8-15(21-13)22(19,20)17-9-10-18-14-6-4-3-5-12(14)11-16-18/h7-8,11,17H,2-6,9-10H2,1H3
InChIKeyBJZKEULAFTYELU-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.36
Rot. Bonds6

About 5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide

5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 90613943) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID90613943
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCn2ncc3c2CCCC3)s1
InChIInChI=1S/C15H21N3O2S2/c1-2-13-7-8-15(21-13)22(19,20)17-9-10-18-14-6-4-3-5-12(14)11-16-18/h7-8,11,17H,2-6,9-10H2,1H3
InChIKeyBJZKEULAFTYELU-UHFFFAOYSA-N
XLogP2.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide
CID 90613912
N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90613978
2,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613993
1,3,5-trimethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-sulfonamide
CID 90614074
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613992
3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613926
4-ethoxy-3-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613985
4-methoxy-3,5-dimethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613986
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90613712

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide (CID 90613943) is 5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCn2ncc3c2CCCC3)s1.
What is the InChIKey of 5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is BJZKEULAFTYELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-2-13-7-8-15(21-13)22(19,20)17-9-10-18-14-6-4-3-5-12(14)11-16-18/h7-8,11,17H,2-6,9-10H2,1H3.
What are the key properties of 5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 339.49 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 90613943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).