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

C17H18ClN3O3S2 — CID 45481682

IUPAC5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(O)cc1
InChIInChI=1S/C17H18ClN3O3S2/c1-11(2)17(20-26(23,24)16-8-7-15(18)25-16)14-9-10-19-21(14)12-3-5-13(22)6-4-12/h3-11,17,20,22H,1-2H3/t17-/m0/s1
InChIKeyPHWQUBVNOCLQJQ-KRWDZBQOSA-N
MW411.94 g/mol
LogP3.97
Rot. Bonds6

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

5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide (PubChem CID 45481682) has the molecular formula C17H18ClN3O3S2 and a molecular weight of 411.94 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide
PubChem CID45481682
Molecular FormulaC17H18ClN3O3S2
Molecular Weight411.94 g/mol
Exact Mass411.05
IUPAC Name5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(O)cc1
InChIInChI=1S/C17H18ClN3O3S2/c1-11(2)17(20-26(23,24)16-8-7-15(18)25-16)14-9-10-19-21(14)12-3-5-13(22)6-4-12/h3-11,17,20,22H,1-2H3/t17-/m0/s1
InChIKeyPHWQUBVNOCLQJQ-KRWDZBQOSA-N
XLogP3.97
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide (CID 45481682) is 5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide is CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(O)cc1.
What is the InChIKey of 5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide?
The InChIKey is PHWQUBVNOCLQJQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18ClN3O3S2/c1-11(2)17(20-26(23,24)16-8-7-15(18)25-16)14-9-10-19-21(14)12-3-5-13(22)6-4-12/h3-11,17,20,22H,1-2H3/t17-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide?
5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide has a molecular weight of 411.94 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 45481682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).