6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole

C13H17ClN4O2S — CID 121326167

IUPAC6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole
SMILESC[C@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C13H17ClN4O2S/c1-9-8-17(21(2,19)20)3-4-18(9)13-6-10(14)5-12-11(13)7-15-16-12/h5-7,9H,3-4,8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyNUHAEGJVKCKBQK-VIFPVBQESA-N
MW328.83 g/mol
LogP1.69
Rot. Bonds2

About 6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole

6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole (PubChem CID 121326167) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is 6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole.

Molecular Properties

Compound Name6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole
PubChem CID121326167
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC Name6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole
SMILESC[C@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C13H17ClN4O2S/c1-9-8-17(21(2,19)20)3-4-18(9)13-6-10(14)5-12-11(13)7-15-16-12/h5-7,9H,3-4,8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyNUHAEGJVKCKBQK-VIFPVBQESA-N
XLogP1.69
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]acetamide;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole
CID 158303164
N-[4-(6-chloro-1H-indazol-4-yl)cyclohexyl]methanesulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(oxetan-3-yl)methanone;1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole
CID 158946055
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone
CID 158303166
6-chloro-4-pyrrolidin-1-yl-1H-indazole
CID 138559858
1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;5-(6-chloro-1H-indazol-4-yl)-2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole;2-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 158202945
6-chloro-4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole
CID 121326454
N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide
CID 146647459
1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 121326760
1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-4-carboxamide
CID 121326810
S-methyl 4-(6-chloro-1H-indazol-4-yl)piperazine-1-carbothioate
CID 146647514
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
CID 121326426
(1S,5R)-6-(6-chloro-1H-indazol-4-yl)-6-hydroxy-N-methyl-3-azabicyclo[3.1.0]hexane-3-sulfonamide
CID 155231302

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole?
The IUPAC name of 6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole (CID 121326167) is 6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole.
What is the SMILES notation for 6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole?
The canonical SMILES for 6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole is C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ncc12.
What is the InChIKey of 6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole?
The InChIKey is NUHAEGJVKCKBQK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c1-9-8-17(21(2,19)20)3-4-18(9)13-6-10(14)5-12-11(13)7-15-16-12/h5-7,9H,3-4,8H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole?
6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole has a molecular weight of 328.83 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole is sourced from PubChem (CID 121326167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).