N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide

C18H17N3O3S — CID 90925791

IUPACN-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2[nH]c3cc(O)ccc3c2CCC#N)cc1
InChIInChI=1S/C18H17N3O3S/c1-25(23,24)21-13-6-4-12(5-7-13)18-16(3-2-10-19)15-9-8-14(22)11-17(15)20-18/h4-9,11,20-22H,2-3H2,1H3
InChIKeyNWGUGNSIKLCQAU-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.37
Rot. Bonds5

About N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide

N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide (PubChem CID 90925791) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide
PubChem CID90925791
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2[nH]c3cc(O)ccc3c2CCC#N)cc1
InChIInChI=1S/C18H17N3O3S/c1-25(23,24)21-13-6-4-12(5-7-13)18-16(3-2-10-19)15-9-8-14(22)11-17(15)20-18/h4-9,11,20-22H,2-3H2,1H3
InChIKeyNWGUGNSIKLCQAU-UHFFFAOYSA-N
XLogP3.37
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide (CID 90925791) is N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2[nH]c3cc(O)ccc3c2CCC#N)cc1.
What is the InChIKey of N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide?
The InChIKey is NWGUGNSIKLCQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-25(23,24)21-13-6-4-12(5-7-13)18-16(3-2-10-19)15-9-8-14(22)11-17(15)20-18/h4-9,11,20-22H,2-3H2,1H3.
What are the key properties of N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide?
N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-cyanoethyl)-6-hydroxy-1H-indol-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 90925791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).