(6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C14H16ClN3O2S — CID 46884457

IUPAC(6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC[C@H]1Cc2[nH]ncc2CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2S/c1-2-12-7-14-10(8-16-17-14)9-18(12)21(19,20)13-5-3-11(15)4-6-13/h3-6,8,12H,2,7,9H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyAGKBXPKPOSQVBS-LBPRGKRZSA-N
MW325.82 g/mol
LogP2.59
Rot. Bonds3

About (6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

(6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 46884457) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is (6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID46884457
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name(6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC[C@H]1Cc2[nH]ncc2CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2S/c1-2-12-7-14-10(8-16-17-14)9-18(12)21(19,20)13-5-3-11(15)4-6-13/h3-6,8,12H,2,7,9H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyAGKBXPKPOSQVBS-LBPRGKRZSA-N
XLogP2.59
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of (6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 46884457) is (6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for (6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for (6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is CC[C@H]1Cc2[nH]ncc2CN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is AGKBXPKPOSQVBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-2-12-7-14-10(8-16-17-14)9-18(12)21(19,20)13-5-3-11(15)4-6-13/h3-6,8,12H,2,7,9H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
(6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 325.82 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 46884457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).