N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide

C22H24ClN5O2S — CID 70564342

IUPACN-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide
SMILESCCn1ncc(C(CC)(c2ccc(Cl)cc2)n2ccc3c(NS(C)(=O)=O)cccc32)n1
InChIInChI=1S/C22H24ClN5O2S/c1-4-22(16-9-11-17(23)12-10-16,21-15-24-28(5-2)25-21)27-14-13-18-19(26-31(3,29)30)7-6-8-20(18)27/h6-15,26H,4-5H2,1-3H3
InChIKeyNPLJFFOLMXVDAN-UHFFFAOYSA-N
MW457.99 g/mol
LogP4.48
Rot. Bonds7

About N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide

N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide (PubChem CID 70564342) has the molecular formula C22H24ClN5O2S and a molecular weight of 457.99 g/mol. Its IUPAC name is N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide
PubChem CID70564342
Molecular FormulaC22H24ClN5O2S
Molecular Weight457.99 g/mol
Exact Mass457.13
IUPAC NameN-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide
SMILESCCn1ncc(C(CC)(c2ccc(Cl)cc2)n2ccc3c(NS(C)(=O)=O)cccc32)n1
InChIInChI=1S/C22H24ClN5O2S/c1-4-22(16-9-11-17(23)12-10-16,21-15-24-28(5-2)25-21)27-14-13-18-19(26-31(3,29)30)7-6-8-20(18)27/h6-15,26H,4-5H2,1-3H3
InChIKeyNPLJFFOLMXVDAN-UHFFFAOYSA-N
XLogP4.48
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.99
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide (CID 70564342) is N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide is CCn1ncc(C(CC)(c2ccc(Cl)cc2)n2ccc3c(NS(C)(=O)=O)cccc32)n1.
What is the InChIKey of N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide?
The InChIKey is NPLJFFOLMXVDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2S/c1-4-22(16-9-11-17(23)12-10-16,21-15-24-28(5-2)25-21)27-14-13-18-19(26-31(3,29)30)7-6-8-20(18)27/h6-15,26H,4-5H2,1-3H3.
What are the key properties of N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide?
N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide has a molecular weight of 457.99 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide is sourced from PubChem (CID 70564342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).