methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine

C57H67ClN8O7S2 — CID 163661230

IUPACmethane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine
SMILESC.CC(C)COc1ccc(S(=O)(=O)Cl)cc1.CC(C)COc1ccccc1.Cc1cc(N)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C23H24N4O3S.C13H12N4.C10H13ClO3S.C10H14O.CH4/c1-16(2)15-30-18-9-11-19(12-10-18)31(28,29)26-23-14-17(3)25-27(23)22-8-4-7-21-20(22)6-5-13-24-21;1-9-8-13(14)17(16-9)12-6-2-5-11-10(12)4-3-7-15-11;1-8(2)7-14-9-3-5-10(6-4-9)15(11,12)13;1-9(2)8-11-10-6-4-3-5-7-10;/h4-14,16,26H,15H2,1-3H3;2-8H,14H2,1H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;1H4
InChIKeyIUOBIPCOFDAQLS-UHFFFAOYSA-N
MW1075.80 g/mol
LogP12.88
Rot. Bonds15

About methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine

methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine (PubChem CID 163661230) has the molecular formula C57H67ClN8O7S2 and a molecular weight of 1075.80 g/mol. Its IUPAC name is methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine.

Molecular Properties

Compound Namemethane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine
PubChem CID163661230
Molecular FormulaC57H67ClN8O7S2
Molecular Weight1075.80 g/mol
Exact Mass1074.43
IUPAC Namemethane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine
SMILESC.CC(C)COc1ccc(S(=O)(=O)Cl)cc1.CC(C)COc1ccccc1.Cc1cc(N)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C23H24N4O3S.C13H12N4.C10H13ClO3S.C10H14O.CH4/c1-16(2)15-30-18-9-11-19(12-10-18)31(28,29)26-23-14-17(3)25-27(23)22-8-4-7-21-20(22)6-5-13-24-21;1-9-8-13(14)17(16-9)12-6-2-5-11-10(12)4-3-7-15-11;1-8(2)7-14-9-3-5-10(6-4-9)15(11,12)13;1-9(2)8-11-10-6-4-3-5-7-10;/h4-14,16,26H,15H2,1-3H3;2-8H,14H2,1H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;1H4
InChIKeyIUOBIPCOFDAQLS-UHFFFAOYSA-N
XLogP12.88
TPSA195.44 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001075.80
LogP ≤ 512.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine?
The IUPAC name of methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine (CID 163661230) is methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine.
What is the SMILES notation for methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine?
The canonical SMILES for methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine is C.CC(C)COc1ccc(S(=O)(=O)Cl)cc1.CC(C)COc1ccccc1.Cc1cc(N)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)n(-c2cccc3ncccc23)n1.
What is the InChIKey of methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine?
The InChIKey is IUOBIPCOFDAQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S.C13H12N4.C10H13ClO3S.C10H14O.CH4/c1-16(2)15-30-18-9-11-19(12-10-18)31(28,29)26-23-14-17(3)25-27(23)22-8-4-7-21-20(22)6-5-13-24-21;1-9-8-13(14)17(16-9)12-6-2-5-11-10(12)4-3-7-15-11;1-8(2)7-14-9-3-5-10(6-4-9)15(11,12)13;1-9(2)8-11-10-6-4-3-5-7-10;/h4-14,16,26H,15H2,1-3H3;2-8H,14H2,1H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;1H4.
What are the key properties of methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine?
methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine has a molecular weight of 1075.80 g/mol, XLogP of 12.88, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylpropoxybenzene;4-(2-methylpropoxy)benzenesulfonyl chloride;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;5-methyl-2-quinolin-5-ylpyrazol-3-amine is sourced from PubChem (CID 163661230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).