3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine

C15H15F2N3O3S — CID 177318930

IUPAC3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine
SMILESCc1ncc(S(=O)(=O)CNc2ccc(C)c3c(C(F)F)c[nH]c23)o1
InChIInChI=1S/C15H15F2N3O3S/c1-8-3-4-11(14-13(8)10(5-19-14)15(16)17)20-7-24(21,22)12-6-18-9(2)23-12/h3-6,15,19-20H,7H2,1-2H3
InChIKeyHWNFIJWHWXSRBC-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.55
Rot. Bonds5

About 3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine

3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine (PubChem CID 177318930) has the molecular formula C15H15F2N3O3S and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine
PubChem CID177318930
Molecular FormulaC15H15F2N3O3S
Molecular Weight355.37 g/mol
Exact Mass355.08
IUPAC Name3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine
SMILESCc1ncc(S(=O)(=O)CNc2ccc(C)c3c(C(F)F)c[nH]c23)o1
InChIInChI=1S/C15H15F2N3O3S/c1-8-3-4-11(14-13(8)10(5-19-14)15(16)17)20-7-24(21,22)12-6-18-9(2)23-12/h3-6,15,19-20H,7H2,1-2H3
InChIKeyHWNFIJWHWXSRBC-UHFFFAOYSA-N
XLogP3.55
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]-1H-indol-7-amine
CID 177318923
5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155193520
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
CID 170949375
2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 172572539
N-(3-chloro-4-methyl-1H-indol-7-yl)-2-methyl-1,3-thiazole-4-sulfonamide
CID 172572464
N-(3-ethynyl-4-methyl-1H-indol-7-yl)-4-propan-2-ylbenzenesulfonamide
CID 157165213
N-(3,4-dimethyl-1H-indol-7-yl)-2-nitrobenzenesulfonamide
CID 170407663
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide
CID 177318952
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide
CID 172572602
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 171055436
2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 55230611
3-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-sulfonamide
CID 155193590

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine?
The IUPAC name of 3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine (CID 177318930) is 3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine.
What is the SMILES notation for 3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine?
The canonical SMILES for 3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine is Cc1ncc(S(=O)(=O)CNc2ccc(C)c3c(C(F)F)c[nH]c23)o1.
What is the InChIKey of 3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine?
The InChIKey is HWNFIJWHWXSRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3S/c1-8-3-4-11(14-13(8)10(5-19-14)15(16)17)20-7-24(21,22)12-6-18-9(2)23-12/h3-6,15,19-20H,7H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine?
3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine has a molecular weight of 355.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-methyl-N-[(2-methyl-1,3-oxazol-5-yl)sulfonylmethyl]-1H-indol-7-amine is sourced from PubChem (CID 177318930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).