N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide

C13H13N3O2S3 — CID 122265220

IUPACN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1cccs1)n1cccn1)c1cccs1
InChIInChI=1S/C13H13N3O2S3/c17-21(18,13-5-2-9-20-13)15-10-11(12-4-1-8-19-12)16-7-3-6-14-16/h1-9,11,15H,10H2
InChIKeyGLDCKHIUNKAPQZ-UHFFFAOYSA-N
MW339.47 g/mol
LogP2.57
Rot. Bonds6

About N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide

N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide (PubChem CID 122265220) has the molecular formula C13H13N3O2S3 and a molecular weight of 339.47 g/mol. Its IUPAC name is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
PubChem CID122265220
Molecular FormulaC13H13N3O2S3
Molecular Weight339.47 g/mol
Exact Mass339.02
IUPAC NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1cccs1)n1cccn1)c1cccs1
InChIInChI=1S/C13H13N3O2S3/c17-21(18,13-5-2-9-20-13)15-10-11(12-4-1-8-19-12)16-7-3-6-14-16/h1-9,11,15H,10H2
InChIKeyGLDCKHIUNKAPQZ-UHFFFAOYSA-N
XLogP2.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 122265246
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 122265298
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
CID 122265215
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclopropanesulfonamide
CID 122265214
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 122265336
5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 122265269
3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
CID 122265333
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 45003189
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
CID 122265353

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide (CID 122265220) is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide is O=S(=O)(NCC(c1cccs1)n1cccn1)c1cccs1.
What is the InChIKey of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The InChIKey is GLDCKHIUNKAPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S3/c17-21(18,13-5-2-9-20-13)15-10-11(12-4-1-8-19-12)16-7-3-6-14-16/h1-9,11,15H,10H2.
What are the key properties of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 122265220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).