3-(3,5-dimethylphenyl)sulfonyl-5,7-difluoro-1H-indole-2-carboxamide

C17H14F2N2O3S — CID 510657

IUPAC3-(3,5-dimethylphenyl)sulfonyl-5,7-difluoro-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3c(F)cc(F)cc23)c1
InChIInChI=1S/C17H14F2N2O3S/c1-8-3-9(2)5-11(4-8)25(23,24)16-12-6-10(18)7-13(19)14(12)21-15(16)17(20)22/h3-7,21H,1-2H3,(H2,20,22)
InChIKeyYIGQPRLSSIGQGH-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.99
Rot. Bonds3

About 3-(3,5-dimethylphenyl)sulfonyl-5,7-difluoro-1H-indole-2-carboxamide

3-(3,5-dimethylphenyl)sulfonyl-5,7-difluoro-1H-indole-2-carboxamide (PubChem CID 510657) has the molecular formula C17H14F2N2O3S and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)sulfonyl-5,7-difluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)sulfonyl-5,7-difluoro-1H-indole-2-carboxamide
PubChem CID510657
Molecular FormulaC17H14F2N2O3S
Molecular Weight364.37 g/mol
Exact Mass364.07
IUPAC Name3-(3,5-dimethylphenyl)sulfonyl-5,7-difluoro-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3c(F)cc(F)cc23)c1
InChIInChI=1S/C17H14F2N2O3S/c1-8-3-9(2)5-11(4-8)25(23,24)16-12-6-10(18)7-13(19)14(12)21-15(16)17(20)22/h3-7,21H,1-2H3,(H2,20,22)
InChIKeyYIGQPRLSSIGQGH-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

5-chloro-3-(3,5-dimethylbenzenesulfonyl)-1H-indole-2-carboxamide
CID 506873
N-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 454851
3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide
CID 510655
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide
CID 10271170
1H-Indole-2-carboxamide, 5-chloro-3-[(3-methylphenyl)sulfonyl]-
CID 506866
1H-Indole-2-carboxamide, 3-(phenylsulfonyl)-
CID 506863
5-acetyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 506877
3-(benzenesulfonyl)-1H-indole-2-carbohydrazide
CID 506879
5,7-dichloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 510654
3-(3,5-dimethylphenyl)sulfonyl-5,6-difluoro-1H-indole-2-carboxamide
CID 510656
3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide
CID 44574267
CID 90676827
CID 90676827

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)sulfonyl-5,7-difluoro-1H-indole-2-carboxamide?
The IUPAC name of 3-(3,5-dimethylphenyl)sulfonyl-5,7-difluoro-1H-indole-2-carboxamide (CID 510657) is 3-(3,5-dimethylphenyl)sulfonyl-5,7-difluoro-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(3,5-dimethylphenyl)sulfonyl-5,7-difluoro-1H-indole-2-carboxamide?
The canonical SMILES for 3-(3,5-dimethylphenyl)sulfonyl-5,7-difluoro-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3c(F)cc(F)cc23)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)sulfonyl-5,7-difluoro-1H-indole-2-carboxamide?
The InChIKey is YIGQPRLSSIGQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S/c1-8-3-9(2)5-11(4-8)25(23,24)16-12-6-10(18)7-13(19)14(12)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-5,7-difluoro-1H-indole-2-carboxamide?
3-(3,5-dimethylphenyl)sulfonyl-5,7-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-5,7-difluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 510657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).