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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine
CID 58812067
6-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]hexan-3-amine
CID 69137588
methyl 3-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanoate
CID 68679834
N,N-dimethyl-4-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]butan-1-amine
CID 68679888
3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole
CID 143426591
3-[(5-methoxy-3-naphthalen-1-ylsulfonyl-2H-indazol-7-yl)oxy]propan-1-amine
CID 68680372
3-[(5-fluoro-3-naphthalen-1-ylsulfonyl-2H-indazol-7-yl)oxy]propan-1-amine;hydrochloride
CID 68679346
tert-butyl N-[1-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)amino]-1-oxopropan-2-yl]carbamate
CID 58812138
5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride
CID 68690371
3-naphthalen-1-ylsulfonyl-5-(4-pyrrolidin-1-ylbutoxy)-2H-indazole
CID 68679898
3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride
CID 68681311
5-(2-azidoethoxy)-3-naphthalen-1-ylsulfonyl-2H-indazole
CID 58812086

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).