6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole

C14H19ClN4O2S — CID 121326386

IUPAC6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
SMILESCC1(C)CN(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O
InChIInChI=1S/C14H19ClN4O2S/c1-14(2)9-18(4-5-19(14)22(3,20)21)13-7-10(15)6-12-11(13)8-16-17-12/h6-8H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyRJWPSUXKQOQTSP-UHFFFAOYSA-N
MW342.85 g/mol
LogP2.08
Rot. Bonds2

About 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole

6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole (PubChem CID 121326386) has the molecular formula C14H19ClN4O2S and a molecular weight of 342.85 g/mol. Its IUPAC name is 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole.

Molecular Properties

Compound Name6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
PubChem CID121326386
Molecular FormulaC14H19ClN4O2S
Molecular Weight342.85 g/mol
Exact Mass342.09
IUPAC Name6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
SMILESCC1(C)CN(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O
InChIInChI=1S/C14H19ClN4O2S/c1-14(2)9-18(4-5-19(14)22(3,20)21)13-7-10(15)6-12-11(13)8-16-17-12/h6-8H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyRJWPSUXKQOQTSP-UHFFFAOYSA-N
XLogP2.08
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?
The IUPAC name of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole (CID 121326386) is 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole.
What is the SMILES notation for 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?
The canonical SMILES for 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole is CC1(C)CN(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.
What is the InChIKey of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?
The InChIKey is RJWPSUXKQOQTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2S/c1-14(2)9-18(4-5-19(14)22(3,20)21)13-7-10(15)6-12-11(13)8-16-17-12/h6-8H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole?
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole has a molecular weight of 342.85 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 121326386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).