5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide

C17H18ClN3O3S2 — CID 25027781

IUPAC5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(Cn2nccc2C(C)NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C17H18ClN3O3S2/c1-12(20-26(22,23)17-8-7-16(18)25-17)15-9-10-19-21(15)11-13-3-5-14(24-2)6-4-13/h3-10,12,20H,11H2,1-2H3
InChIKeyOBIISFARWOQBOD-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.69
Rot. Bonds7

About 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide

5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 25027781) has the molecular formula C17H18ClN3O3S2 and a molecular weight of 411.94 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide
PubChem CID25027781
Molecular FormulaC17H18ClN3O3S2
Molecular Weight411.94 g/mol
Exact Mass411.05
IUPAC Name5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(Cn2nccc2C(C)NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C17H18ClN3O3S2/c1-12(20-26(22,23)17-8-7-16(18)25-17)15-9-10-19-21(15)11-13-3-5-14(24-2)6-4-13/h3-10,12,20H,11H2,1-2H3
InChIKeyOBIISFARWOQBOD-UHFFFAOYSA-N
XLogP3.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide (CID 25027781) is 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide is COc1ccc(Cn2nccc2C(C)NS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is OBIISFARWOQBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S2/c1-12(20-26(22,23)17-8-7-16(18)25-17)15-9-10-19-21(15)11-13-3-5-14(24-2)6-4-13/h3-10,12,20H,11H2,1-2H3.
What are the key properties of 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide?
5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 411.94 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 25027781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).