N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide

C21H22ClN3O2S — CID 70565041

IUPACN-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide
SMILESCCC(CCC#N)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C21H22ClN3O2S/c1-3-21(13-5-14-23,16-8-10-17(22)11-9-16)25-15-12-18-19(24-28(2,26)27)6-4-7-20(18)25/h4,6-12,15,24H,3,5,13H2,1-2H3
InChIKeyYEHIJPNUIZWGGR-UHFFFAOYSA-N
MW415.95 g/mol
LogP5.12
Rot. Bonds7

About N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide

N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide (PubChem CID 70565041) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide
PubChem CID70565041
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC NameN-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide
SMILESCCC(CCC#N)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C21H22ClN3O2S/c1-3-21(13-5-14-23,16-8-10-17(22)11-9-16)25-15-12-18-19(24-28(2,26)27)6-4-7-20(18)25/h4,6-12,15,24H,3,5,13H2,1-2H3
InChIKeyYEHIJPNUIZWGGR-UHFFFAOYSA-N
XLogP5.12
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.95
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-chlorophenyl)-6-fluorohexan-3-yl]indol-4-yl]methanesulfonamide
CID 70564766
N-[1-[3-(4-chlorophenyl)-1-methylsulfanylpentan-3-yl]indol-4-yl]methanesulfonamide
CID 70564130
methyl 4-(4-chlorophenyl)-4-[4-(methanesulfonamido)indol-1-yl]hexanoate
CID 70562931
N-[1-[1-(4-chlorophenyl)-1-cyanopropyl]indol-4-yl]ethanesulfonamide
CID 70563661
2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-N-methylbutanamide
CID 76555707
N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide
CID 122429351
N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide
CID 70564342
2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide
CID 70560860
N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide
CID 70564480
N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide
CID 122429342
N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide
CID 70562836
methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate
CID 123274412

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide (CID 70565041) is N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide is CCC(CCC#N)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide?
The InChIKey is YEHIJPNUIZWGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c1-3-21(13-5-14-23,16-8-10-17(22)11-9-16)25-15-12-18-19(24-28(2,26)27)6-4-7-20(18)25/h4,6-12,15,24H,3,5,13H2,1-2H3.
What are the key properties of N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide?
N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide has a molecular weight of 415.95 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide is sourced from PubChem (CID 70565041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).