1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide

C20H17ClN4O3S2 — CID 166984898

IUPAC1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide
SMILESCc1nc(S(=O)(=O)NC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)sc1C
InChIInChI=1S/C20H17ClN4O3S2/c1-12-13(2)29-20(22-12)30(27,28)24-19(26)18-16-5-3-4-6-17(16)25(23-18)11-14-7-9-15(21)10-8-14/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyWXOQUQJISBVQQX-UHFFFAOYSA-N
MW460.97 g/mol
LogP3.93
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide (PubChem CID 166984898) has the molecular formula C20H17ClN4O3S2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide
PubChem CID166984898
Molecular FormulaC20H17ClN4O3S2
Molecular Weight460.97 g/mol
Exact Mass460.04
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide
SMILESCc1nc(S(=O)(=O)NC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)sc1C
InChIInChI=1S/C20H17ClN4O3S2/c1-12-13(2)29-20(22-12)30(27,28)24-19(26)18-16-5-3-4-6-17(16)25(23-18)11-14-7-9-15(21)10-8-14/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyWXOQUQJISBVQQX-UHFFFAOYSA-N
XLogP3.93
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide (CID 166984898) is 1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide is Cc1nc(S(=O)(=O)NC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)sc1C.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide?
The InChIKey is WXOQUQJISBVQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3S2/c1-12-13(2)29-20(22-12)30(27,28)24-19(26)18-16-5-3-4-6-17(16)25(23-18)11-14-7-9-15(21)10-8-14/h3-10H,11H2,1-2H3,(H,24,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide has a molecular weight of 460.97 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide is sourced from PubChem (CID 166984898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).