1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide

C15H11ClF2N2OS — CID 154653155

IUPAC1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide
SMILESO=S(Cc1cccc(Cl)c1)Nc1c[nH]c2cc(F)c(F)cc12
InChIInChI=1S/C15H11ClF2N2OS/c16-10-3-1-2-9(4-10)8-22(21)20-15-7-19-14-6-13(18)12(17)5-11(14)15/h1-7,19-20H,8H2
InChIKeyWJYISULAKBIRQG-UHFFFAOYSA-N
MW340.78 g/mol
LogP4.38
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide

1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide (PubChem CID 154653155) has the molecular formula C15H11ClF2N2OS and a molecular weight of 340.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide
PubChem CID154653155
Molecular FormulaC15H11ClF2N2OS
Molecular Weight340.78 g/mol
Exact Mass340.02
IUPAC Name1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide
SMILESO=S(Cc1cccc(Cl)c1)Nc1c[nH]c2cc(F)c(F)cc12
InChIInChI=1S/C15H11ClF2N2OS/c16-10-3-1-2-9(4-10)8-22(21)20-15-7-19-14-6-13(18)12(17)5-11(14)15/h1-7,19-20H,8H2
InChIKeyWJYISULAKBIRQG-UHFFFAOYSA-N
XLogP4.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)octane-1-sulfinamide
CID 164554051
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide
CID 155009388
5,6-difluoro-N-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-indol-3-amine
CID 154653148
1-(benzylsulfinylmethyl)-3-chlorobenzene
CID 47022757
5,6-difluoro-1H-indole-3-sulfinyl chloride
CID 135201076
5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine
CID 175446361
N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 162444829
4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide
CID 162705279
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 42652263
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide (CID 154653155) is 1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide is O=S(Cc1cccc(Cl)c1)Nc1c[nH]c2cc(F)c(F)cc12.
What is the InChIKey of 1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide?
The InChIKey is WJYISULAKBIRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2OS/c16-10-3-1-2-9(4-10)8-22(21)20-15-7-19-14-6-13(18)12(17)5-11(14)15/h1-7,19-20H,8H2.
What are the key properties of 1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide?
1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide has a molecular weight of 340.78 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(5,6-difluoro-1H-indol-3-yl)methanesulfinamide is sourced from PubChem (CID 154653155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).