5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide

C17H17ClFN3O2S2 — CID 11750314

IUPAC5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C17H17ClFN3O2S2/c1-11(2)17(21-26(23,24)16-8-7-15(18)25-16)14-9-10-20-22(14)13-5-3-12(19)4-6-13/h3-11,17,21H,1-2H3/t17-/m0/s1
InChIKeyPQUIAOFHYBQBIA-KRWDZBQOSA-N
MW413.93 g/mol
LogP4.40
Rot. Bonds6

About 5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide

5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide (PubChem CID 11750314) has the molecular formula C17H17ClFN3O2S2 and a molecular weight of 413.93 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide
PubChem CID11750314
Molecular FormulaC17H17ClFN3O2S2
Molecular Weight413.93 g/mol
Exact Mass413.04
IUPAC Name5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C17H17ClFN3O2S2/c1-11(2)17(21-26(23,24)16-8-7-15(18)25-16)14-9-10-20-22(14)13-5-3-12(19)4-6-13/h3-11,17,21H,1-2H3/t17-/m0/s1
InChIKeyPQUIAOFHYBQBIA-KRWDZBQOSA-N
XLogP4.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide (CID 11750314) is 5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide is CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(F)cc1.
What is the InChIKey of 5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide?
The InChIKey is PQUIAOFHYBQBIA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17ClFN3O2S2/c1-11(2)17(21-26(23,24)16-8-7-15(18)25-16)14-9-10-20-22(14)13-5-3-12(19)4-6-13/h3-11,17,21H,1-2H3/t17-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide?
5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide has a molecular weight of 413.93 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 11750314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).