2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide

C21H23ClN4O3S — CID 56952017

IUPAC2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide
SMILESCCN(c1cc2nn(-c3ccc(Cl)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C21H23ClN4O3S/c1-4-25(30(3,28)29)19-12-18-17(11-16(19)13-5-6-13)20(21(27)23-2)26(24-18)15-9-7-14(22)8-10-15/h7-13H,4-6H2,1-3H3,(H,23,27)
InChIKeyODJUHPMOQVYWAD-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.70
Rot. Bonds6

About 2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide

2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide (PubChem CID 56952017) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide
PubChem CID56952017
Molecular FormulaC21H23ClN4O3S
Molecular Weight446.96 g/mol
Exact Mass446.12
IUPAC Name2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide
SMILESCCN(c1cc2nn(-c3ccc(Cl)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C21H23ClN4O3S/c1-4-25(30(3,28)29)19-12-18-17(11-16(19)13-5-6-13)20(21(27)23-2)26(24-18)15-9-7-14(22)8-10-15/h7-13H,4-6H2,1-3H3,(H,23,27)
InChIKeyODJUHPMOQVYWAD-UHFFFAOYSA-N
XLogP3.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide (CID 56952017) is 2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide is CCN(c1cc2nn(-c3ccc(Cl)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide?
The InChIKey is ODJUHPMOQVYWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-4-25(30(3,28)29)19-12-18-17(11-16(19)13-5-6-13)20(21(27)23-2)26(24-18)15-9-7-14(22)8-10-15/h7-13H,4-6H2,1-3H3,(H,23,27).
What are the key properties of 2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide?
2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide has a molecular weight of 446.96 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide is sourced from PubChem (CID 56952017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).