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

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Related Compounds

5-chloro-N-[2-methyl-1-[2-(4-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide
CID 11200695
5-chloro-N-[(1S)-2-methyl-1-[2-(4-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide
CID 45481681
5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide
CID 11153660
5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide
CID 11156102
5-chloro-N-[(1R)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide
CID 11200800
5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]-N-methylthiophene-2-sulfonamide
CID 11235968
5-chloro-N-[1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide
CID 11281404
5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide
CID 11327711
5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide
CID 11384302
4,5-dichloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide
CID 11476626
5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide
CID 11750314
5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide
CID 45481555

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).