3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide

C17H14F2N2O3S — CID 510655

IUPAC3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(F)c(F)c23)c1
InChIInChI=1S/C17H14F2N2O3S/c1-8-5-9(2)7-10(6-8)25(23,24)16-13-12(21-15(16)17(20)22)4-3-11(18)14(13)19/h3-7,21H,1-2H3,(H2,20,22)
InChIKeyQVEIURZICSVVJD-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.99
Rot. Bonds3

About 3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide

3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide (PubChem CID 510655) has the molecular formula C17H14F2N2O3S and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide
PubChem CID510655
Molecular FormulaC17H14F2N2O3S
Molecular Weight364.37 g/mol
Exact Mass364.07
IUPAC Name3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(F)c(F)c23)c1
InChIInChI=1S/C17H14F2N2O3S/c1-8-5-9(2)7-10(6-8)25(23,24)16-13-12(21-15(16)17(20)22)4-3-11(18)14(13)19/h3-7,21H,1-2H3,(H2,20,22)
InChIKeyQVEIURZICSVVJD-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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Related Compounds

3-Benzenesulfonyl-5-chloroindole-2-carboxamide
CID 454844
5-chloro-3-(3,5-dimethylbenzenesulfonyl)-1H-indole-2-carboxamide
CID 506873
2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide
CID 14611919
N-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 454851
3-(benzenesulfinyl)-5-chloro-1H-indole-2-carboxamide
CID 454853
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide
CID 10271170
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N'-isopropyl-1H-indole-2-carbohydrazide
CID 11625926
N-[(4-aminophenyl)methyl]-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 90676832
1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)sulfonyl]-
CID 506867
2-(hydrazinecarbonyl)-3-(3-methylphenyl)-1H-indole-5-sulfonamide
CID 25093414
3-(2-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide
CID 25093416
3-(3-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide
CID 25093417

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide?
The IUPAC name of 3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide (CID 510655) is 3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide?
The canonical SMILES for 3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(F)c(F)c23)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide?
The InChIKey is QVEIURZICSVVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S/c1-8-5-9(2)7-10(6-8)25(23,24)16-13-12(21-15(16)17(20)22)4-3-11(18)14(13)19/h3-7,21H,1-2H3,(H2,20,22).
What are the key properties of 3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide?
3-(3,5-dimethylphenyl)sulfonyl-4,5-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-4,5-difluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 510655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).