4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine

C24H27N3O2S — CID 90743906

IUPAC4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine
SMILESCCC(C)(CCCN)c1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C24H27N3O2S/c1-3-24(2,14-7-15-25)18-12-13-21-20(16-18)23(27-26-21)30(28,29)22-11-6-9-17-8-4-5-10-19(17)22/h4-6,8-13,16H,3,7,14-15,25H2,1-2H3,(H,26,27)
InChIKeyMUKVZDJXGVWIBC-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.96
Rot. Bonds7

About 4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine

4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine (PubChem CID 90743906) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine.

Molecular Properties

Compound Name4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine
PubChem CID90743906
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine
SMILESCCC(C)(CCCN)c1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1
InChIInChI=1S/C24H27N3O2S/c1-3-24(2,14-7-15-25)18-12-13-21-20(16-18)23(27-26-21)30(28,29)22-11-6-9-17-8-4-5-10-19(17)22/h4-6,8-13,16H,3,7,14-15,25H2,1-2H3,(H,26,27)
InChIKeyMUKVZDJXGVWIBC-UHFFFAOYSA-N
XLogP4.96
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine?
The IUPAC name of 4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine (CID 90743906) is 4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine.
What is the SMILES notation for 4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine?
The canonical SMILES for 4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine is CCC(C)(CCCN)c1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1.
What is the InChIKey of 4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine?
The InChIKey is MUKVZDJXGVWIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-3-24(2,14-7-15-25)18-12-13-21-20(16-18)23(27-26-21)30(28,29)22-11-6-9-17-8-4-5-10-19(17)22/h4-6,8-13,16H,3,7,14-15,25H2,1-2H3,(H,26,27).
What are the key properties of 4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine?
4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine has a molecular weight of 421.57 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)hexan-1-amine is sourced from PubChem (CID 90743906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).