N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide

C18H17N3O2S — CID 143185330

IUPACN-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide
SMILESCN(c1ccc(-c2c(C#N)c3ccc(O)cc3n2C)cc1)S(C)=O
InChIInChI=1S/C18H17N3O2S/c1-20-17-10-14(22)8-9-15(17)16(11-19)18(20)12-4-6-13(7-5-12)21(2)24(3)23/h4-10,22H,1-3H3
InChIKeyBXORDKMXUVETJF-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.15
Rot. Bonds3

About N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide

N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide (PubChem CID 143185330) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide.

Molecular Properties

Compound NameN-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide
PubChem CID143185330
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide
SMILESCN(c1ccc(-c2c(C#N)c3ccc(O)cc3n2C)cc1)S(C)=O
InChIInChI=1S/C18H17N3O2S/c1-20-17-10-14(22)8-9-15(17)16(11-19)18(20)12-4-6-13(7-5-12)21(2)24(3)23/h4-10,22H,1-3H3
InChIKeyBXORDKMXUVETJF-UHFFFAOYSA-N
XLogP3.15
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide
CID 143184867
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide
CID 58694320
N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide
CID 143184099
N-[4-[3-cyano-1-methyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-N-methylethanesulfonamide
CID 58724749
2-(4-aminophenyl)-1-cyclopropyl-6-hydroxyindole-3-carbonitrile
CID 59425735
6-[amino(propylsulfanyl)amino]-2-(4-ethoxyphenyl)-1-methylindole-3-carbonitrile
CID 143184339
6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
CID 143184569
N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide
CID 59425200
N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide
CID 58694164
N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide
CID 143185159
[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-hydroxyindol-2-yl)phenyl]carbamate
CID 59430464
N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide
CID 143184251

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide?
The IUPAC name of N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide (CID 143185330) is N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide.
What is the SMILES notation for N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide?
The canonical SMILES for N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide is CN(c1ccc(-c2c(C#N)c3ccc(O)cc3n2C)cc1)S(C)=O.
What is the InChIKey of N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide?
The InChIKey is BXORDKMXUVETJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-20-17-10-14(22)8-9-15(17)16(11-19)18(20)12-4-6-13(7-5-12)21(2)24(3)23/h4-10,22H,1-3H3.
What are the key properties of N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide?
N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide has a molecular weight of 339.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide is sourced from PubChem (CID 143185330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).