5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide

C13H18ClN3O2S2 — CID 45481555

IUPAC5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide
SMILESCCC(CC)C(NS(=O)(=O)c1ccc(Cl)s1)c1ccn[nH]1
InChIInChI=1S/C13H18ClN3O2S2/c1-3-9(4-2)13(10-7-8-15-16-10)17-21(18,19)12-6-5-11(14)20-12/h5-9,13,17H,3-4H2,1-2H3,(H,15,16)
InChIKeyWECTZTUUKXNETR-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.58
Rot. Bonds7

About 5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide

5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide (PubChem CID 45481555) has the molecular formula C13H18ClN3O2S2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide
PubChem CID45481555
Molecular FormulaC13H18ClN3O2S2
Molecular Weight347.89 g/mol
Exact Mass347.05
IUPAC Name5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide
SMILESCCC(CC)C(NS(=O)(=O)c1ccc(Cl)s1)c1ccn[nH]1
InChIInChI=1S/C13H18ClN3O2S2/c1-3-9(4-2)13(10-7-8-15-16-10)17-21(18,19)12-6-5-11(14)20-12/h5-9,13,17H,3-4H2,1-2H3,(H,15,16)
InChIKeyWECTZTUUKXNETR-UHFFFAOYSA-N
XLogP3.58
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide
CID 11200513
5-Chloro-N-(2-ethyl-1-{1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-5-yl}butyl)thiophene-2-sulfonamide
CID 11214237
1-[(5-chloro-2-thienyl)sulfonyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 45178235
N-[1-(1-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide
CID 91552491
N-[1-(2-butylpyrazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide
CID 140083396
N-[1-[2-[1-[4-(aminomethyl)phenyl]prop-2-enylsulfonyl]pyrazol-3-yl]-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide
CID 174507740
N-[1-[2-[3-[4-(aminomethyl)phenyl]prop-2-enylsulfonyl]pyrazol-3-yl]-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide
CID 175247360
5-chloro-N-[3-(1H-pyrazol-5-yl)phenyl]thiophene-2-sulfonamide
CID 39330255
N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47363929
N-(3-chlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 53083801
N-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 53083802
N-(4-chloro-2-methylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 53083804

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide (CID 45481555) is 5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide is CCC(CC)C(NS(=O)(=O)c1ccc(Cl)s1)c1ccn[nH]1.
What is the InChIKey of 5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide?
The InChIKey is WECTZTUUKXNETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2S2/c1-3-9(4-2)13(10-7-8-15-16-10)17-21(18,19)12-6-5-11(14)20-12/h5-9,13,17H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide?
5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide has a molecular weight of 347.89 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-ethyl-1-(1H-pyrazol-5-yl)butyl]thiophene-2-sulfonamide is sourced from PubChem (CID 45481555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).