3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide

C17H14F2N2O3S — CID 510656

IUPAC3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3cc(F)c(F)cc23)c1
InChIInChI=1S/C17H14F2N2O3S/c1-8-3-9(2)5-10(4-8)25(23,24)16-11-6-12(18)13(19)7-14(11)21-15(16)17(20)22/h3-7,21H,1-2H3,(H2,20,22)
InChIKeyBQJXNGJUHADQLZ-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.99
Rot. Bonds3

About 3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide

3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide (PubChem CID 510656) has the molecular formula C17H14F2N2O3S and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide
PubChem CID510656
Molecular FormulaC17H14F2N2O3S
Molecular Weight364.37 g/mol
Exact Mass364.07
IUPAC Name3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3cc(F)c(F)cc23)c1
InChIInChI=1S/C17H14F2N2O3S/c1-8-3-9(2)5-10(4-8)25(23,24)16-11-6-12(18)13(19)7-14(11)21-15(16)17(20)22/h3-7,21H,1-2H3,(H2,20,22)
InChIKeyBQJXNGJUHADQLZ-UHFFFAOYSA-N
XLogP2.99
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide?
The IUPAC name of 3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide (CID 510656) is 3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide?
The canonical SMILES for 3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3cc(F)c(F)cc23)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide?
The InChIKey is BQJXNGJUHADQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S/c1-8-3-9(2)5-10(4-8)25(23,24)16-11-6-12(18)13(19)7-14(11)21-15(16)17(20)22/h3-7,21H,1-2H3,(H2,20,22).
What are the key properties of 3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide?
3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 510656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).