N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide

C14H16ClNO2S — CID 173149770

IUPACN-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide
SMILESO=S(=O)(NCCc1cccc(Cl)c1)C1=CCCC=C1
InChIInChI=1S/C14H16ClNO2S/c15-13-6-4-5-12(11-13)9-10-16-19(17,18)14-7-2-1-3-8-14/h2,4-8,11,16H,1,3,9-10H2
InChIKeyZUCIXPIUQGDIGJ-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.04
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide

N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide (PubChem CID 173149770) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide
PubChem CID173149770
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC NameN-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide
SMILESO=S(=O)(NCCc1cccc(Cl)c1)C1=CCCC=C1
InChIInChI=1S/C14H16ClNO2S/c15-13-6-4-5-12(11-13)9-10-16-19(17,18)14-7-2-1-3-8-14/h2,4-8,11,16H,1,3,9-10H2
InChIKeyZUCIXPIUQGDIGJ-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 19680921
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 9301774
N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19680910
4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 19680922
3-[2-(3-chlorophenyl)ethylsulfamoyl]-N-cyclopropylbenzamide
CID 109062317
3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
CID 174539221
3-amino-4-bromo-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 115328936
4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107650102
N-[2-(3-chlorophenyl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098413
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
N-[2-(3-chlorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26529237

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide (CID 173149770) is N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide is O=S(=O)(NCCc1cccc(Cl)c1)C1=CCCC=C1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is ZUCIXPIUQGDIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c15-13-6-4-5-12(11-13)9-10-16-19(17,18)14-7-2-1-3-8-14/h2,4-8,11,16H,1,3,9-10H2.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide?
N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 297.81 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 173149770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).