N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide

C12H12ClNO2S2 — CID 9301774

IUPACN-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C12H12ClNO2S2/c13-11-4-1-3-10(9-11)6-7-14-18(15,16)12-5-2-8-17-12/h1-5,8-9,14H,6-7H2
InChIKeyKAQFCUQFBKUIAQ-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide

N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 9301774) has the molecular formula C12H12ClNO2S2 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID9301774
Molecular FormulaC12H12ClNO2S2
Molecular Weight301.82 g/mol
Exact Mass301.00
IUPAC NameN-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C12H12ClNO2S2/c13-11-4-1-3-10(9-11)6-7-14-18(15,16)12-5-2-8-17-12/h1-5,8-9,14H,6-7H2
InChIKeyKAQFCUQFBKUIAQ-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 3810708
N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide
CID 110667301
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 19680921
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
N-[2-(6-chloro-1H-indol-3-yl)ethyl]thiophene-2-sulfonamide
CID 113083889
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19680910
N-[2-[5-(2,2,2-trichloroacetyl)thiophen-3-yl]ethyl]thiophene-2-sulfonamide
CID 139687198
4-[2-(3-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61073730
N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 65032752
N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide
CID 173149770

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide (CID 9301774) is N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1cccc(Cl)c1)c1cccs1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is KAQFCUQFBKUIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S2/c13-11-4-1-3-10(9-11)6-7-14-18(15,16)12-5-2-8-17-12/h1-5,8-9,14H,6-7H2.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide?
N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 301.82 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 9301774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).