1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide

C24H30Cl2N4O2S — CID 59648218

IUPAC1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc2c(c1)c(N(CC)CC)nn2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C24H30Cl2N4O2S/c1-6-28(7-2)24-19-14-18(33(31,32)29(8-3)15-17(4)5)12-13-23(19)30(27-24)16-20-21(25)10-9-11-22(20)26/h9-14H,4,6-8,15-16H2,1-3,5H3
InChIKeyMOTQZQXAHOYJSX-UHFFFAOYSA-N
MW509.50 g/mol
LogP5.82
Rot. Bonds10

About 1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide

1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide (PubChem CID 59648218) has the molecular formula C24H30Cl2N4O2S and a molecular weight of 509.50 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide
PubChem CID59648218
Molecular FormulaC24H30Cl2N4O2S
Molecular Weight509.50 g/mol
Exact Mass508.15
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc2c(c1)c(N(CC)CC)nn2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C24H30Cl2N4O2S/c1-6-28(7-2)24-19-14-18(33(31,32)29(8-3)15-17(4)5)12-13-23(19)30(27-24)16-20-21(25)10-9-11-22(20)26/h9-14H,4,6-8,15-16H2,1-3,5H3
InChIKeyMOTQZQXAHOYJSX-UHFFFAOYSA-N
XLogP5.82
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.50
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide (CID 59648218) is 1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide is C=C(C)CN(CC)S(=O)(=O)c1ccc2c(c1)c(N(CC)CC)nn2Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide?
The InChIKey is MOTQZQXAHOYJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O2S/c1-6-28(7-2)24-19-14-18(33(31,32)29(8-3)15-17(4)5)12-13-23(19)30(27-24)16-20-21(25)10-9-11-22(20)26/h9-14H,4,6-8,15-16H2,1-3,5H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide?
1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide has a molecular weight of 509.50 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-3-(diethylamino)-N-ethyl-N-(2-methylprop-2-enyl)indazole-5-sulfonamide is sourced from PubChem (CID 59648218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).