N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide

C18H15F2N3O3S — CID 58694164

IUPACN-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide
SMILESCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C18H15F2N3O3S/c1-23-16-9-13(26-18(19)20)7-8-14(16)15(10-21)17(23)11-3-5-12(6-4-11)22-27(2,24)25/h3-9,18,22H,1-2H3
InChIKeyVXQCBANWSBRWHL-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.69
Rot. Bonds5

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

N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide (PubChem CID 58694164) has the molecular formula C18H15F2N3O3S and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide
PubChem CID58694164
Molecular FormulaC18H15F2N3O3S
Molecular Weight391.40 g/mol
Exact Mass391.08
IUPAC NameN-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide
SMILESCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C18H15F2N3O3S/c1-23-16-9-13(26-18(19)20)7-8-14(16)15(10-21)17(23)11-3-5-12(6-4-11)22-27(2,24)25/h3-9,18,22H,1-2H3
InChIKeyVXQCBANWSBRWHL-UHFFFAOYSA-N
XLogP3.69
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide
CID 58694414
N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide
CID 59430592
N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide
CID 143185159
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide
CID 58694386
2-(4-aminophenyl)-6-(difluoromethoxy)-1-propan-2-ylindole-3-carbonitrile
CID 89344169
6-(difluoromethoxy)-1-ethyl-2-[4-(propylsulfanylamino)phenyl]indole-3-carbonitrile
CID 143511226
N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide
CID 59426014
N-[4-[3-cyano-1-methyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-N-methylethanesulfonamide
CID 58724749
N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 161097153
ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58694483
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide
CID 58694045
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-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide (CID 58694164) is N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide is Cn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC(F)F)cc21.
What is the InChIKey of N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide?
The InChIKey is VXQCBANWSBRWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S/c1-23-16-9-13(26-18(19)20)7-8-14(16)15(10-21)17(23)11-3-5-12(6-4-11)22-27(2,24)25/h3-9,18,22H,1-2H3.
What are the key properties of N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide?
N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide has a molecular weight of 391.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 58694164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).