N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide

C17H26ClN3O2S2 — CID 11200513

IUPACN-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide
SMILESCCCCn1nccc1C(NS(=O)(=O)c1ccc(Cl)s1)C(CC)CC
InChIInChI=1S/C17H26ClN3O2S2/c1-4-7-12-21-14(10-11-19-21)17(13(5-2)6-3)20-25(22,23)16-9-8-15(18)24-16/h8-11,13,17,20H,4-7,12H2,1-3H3
InChIKeyBMEKUVWEUPJPMW-UHFFFAOYSA-N
MW404.00 g/mol
LogP4.85
Rot. Bonds10

About N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide

N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 11200513) has the molecular formula C17H26ClN3O2S2 and a molecular weight of 404.00 g/mol. Its IUPAC name is N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide
PubChem CID11200513
Molecular FormulaC17H26ClN3O2S2
Molecular Weight404.00 g/mol
Exact Mass403.12
IUPAC NameN-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide
SMILESCCCCn1nccc1C(NS(=O)(=O)c1ccc(Cl)s1)C(CC)CC
InChIInChI=1S/C17H26ClN3O2S2/c1-4-7-12-21-14(10-11-19-21)17(13(5-2)6-3)20-25(22,23)16-9-8-15(18)24-16/h8-11,13,17,20H,4-7,12H2,1-3H3
InChIKeyBMEKUVWEUPJPMW-UHFFFAOYSA-N
XLogP4.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.00
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide (CID 11200513) is N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide is CCCCn1nccc1C(NS(=O)(=O)c1ccc(Cl)s1)C(CC)CC.
What is the InChIKey of N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is BMEKUVWEUPJPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2S2/c1-4-7-12-21-14(10-11-19-21)17(13(5-2)6-3)20-25(22,23)16-9-8-15(18)24-16/h8-11,13,17,20H,4-7,12H2,1-3H3.
What are the key properties of N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide?
N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 404.00 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 11200513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).