N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide

C18H16FN3O2S — CID 24739503

IUPACN-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide
SMILESCCn1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C18H16FN3O2S/c1-3-22-11-16(12-4-5-13(10-20)17(19)8-12)15-7-6-14(9-18(15)22)21-25(2,23)24/h4-9,11,21H,3H2,1-2H3
InChIKeyCRDODZLQLDNQJU-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.71
Rot. Bonds4

About N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide

N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide (PubChem CID 24739503) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide
PubChem CID24739503
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide
SMILESCCn1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C18H16FN3O2S/c1-3-22-11-16(12-4-5-13(10-20)17(19)8-12)15-7-6-14(9-18(15)22)21-25(2,23)24/h4-9,11,21H,3H2,1-2H3
InChIKeyCRDODZLQLDNQJU-UHFFFAOYSA-N
XLogP3.71
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-cyano-3,5-difluorophenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 24739670
N-[3-(6-cyano-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]methanesulfonamide
CID 67101176
N-[3-(4-cyanophenyl)-1-(1-methoxypropan-2-yl)indol-6-yl]methanesulfonamide
CID 67101206
N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide
CID 57442256
N-[3-(2-cyanophenyl)sulfanyl-1-[(3,5-difluorophenyl)methyl]indol-6-yl]methanesulfonamide
CID 69464227
N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide
CID 67101128
N-[3-(4-cyano-2-fluorophenyl)-1-[(2R)-3-methylbutan-2-yl]indol-6-yl]methanesulfonamide
CID 67101141
N-[3-(5-cyanothiophen-3-yl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 67101494
4-[1-(1-cyanoethyl)-6-nitroindol-3-yl]-2-fluorobenzonitrile
CID 67100646
1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonitrile
CID 97032665
methyl 4-[6-(methanesulfonamido)-1-propan-2-ylindol-3-yl]benzoate
CID 67101095
N-[3-(4-formylphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
CID 86628684

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide (CID 24739503) is N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide is CCn1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide?
The InChIKey is CRDODZLQLDNQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-3-22-11-16(12-4-5-13(10-20)17(19)8-12)15-7-6-14(9-18(15)22)21-25(2,23)24/h4-9,11,21H,3H2,1-2H3.
What are the key properties of N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide?
N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyano-3-fluorophenyl)-1-ethylindol-6-yl]methanesulfonamide is sourced from PubChem (CID 24739503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).