5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide

C10H12ClN3O2S2 — CID 103100333

IUPAC5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)n[nH]1
InChIInChI=1S/C10H12ClN3O2S2/c1-3-7-5-8(13-12-7)14-18(15,16)9-4-6(2)10(11)17-9/h4-5H,3H2,1-2H3,(H2,12,13,14)
InChIKeyLBKBNXCBOIFUEB-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.80
Rot. Bonds4

About 5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide

5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide (PubChem CID 103100333) has the molecular formula C10H12ClN3O2S2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide
PubChem CID103100333
Molecular FormulaC10H12ClN3O2S2
Molecular Weight305.81 g/mol
Exact Mass305.01
IUPAC Name5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)n[nH]1
InChIInChI=1S/C10H12ClN3O2S2/c1-3-7-5-8(13-12-7)14-18(15,16)9-4-6(2)10(11)17-9/h4-5H,3H2,1-2H3,(H2,12,13,14)
InChIKeyLBKBNXCBOIFUEB-UHFFFAOYSA-N
XLogP2.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide
CID 91651974
5-chloro-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 166203517
5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 167889278
5-chloro-N-[5-(2-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 72105472
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chlorothiophene-2-sulfonamide
CID 3745386
5-chloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 3748031
N-(5-tert-butyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 3799442
2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 3833413
5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 5006789
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 25038237
N-[4-cyano-5-(cyanomethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 25046888
2,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 55260792

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide (CID 103100333) is 5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide is CCc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)n[nH]1.
What is the InChIKey of 5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide?
The InChIKey is LBKBNXCBOIFUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S2/c1-3-7-5-8(13-12-7)14-18(15,16)9-4-6(2)10(11)17-9/h4-5H,3H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide?
5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide has a molecular weight of 305.81 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103100333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).