N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide

C12H11Cl2NO2S2 — CID 3810708

IUPACN-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C12H11Cl2NO2S2/c13-10-4-3-9(8-11(10)14)5-6-15-19(16,17)12-2-1-7-18-12/h1-4,7-8,15H,5-6H2
InChIKeyNBHFORFYXAAVDO-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.58
Rot. Bonds5

About N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide

N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 3810708) has the molecular formula C12H11Cl2NO2S2 and a molecular weight of 336.27 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID3810708
Molecular FormulaC12H11Cl2NO2S2
Molecular Weight336.27 g/mol
Exact Mass334.96
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C12H11Cl2NO2S2/c13-10-4-3-9(8-11(10)14)5-6-15-19(16,17)12-2-1-7-18-12/h1-4,7-8,15H,5-6H2
InChIKeyNBHFORFYXAAVDO-UHFFFAOYSA-N
XLogP3.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 9301774
N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110707437
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780125
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide
CID 110788681
N-[2-[5-(2,2,2-trichloroacetyl)thiophen-3-yl]ethyl]thiophene-2-sulfonamide
CID 139687198
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 3687846
N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide
CID 16890340
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110666587
N-[3-(3-hydroxyphenyl)propyl]thiophene-2-sulfonamide
CID 110667301
3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 11978291

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide (CID 3810708) is N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1ccc(Cl)c(Cl)c1)c1cccs1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is NBHFORFYXAAVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2S2/c13-10-4-3-9(8-11(10)14)5-6-15-19(16,17)12-2-1-7-18-12/h1-4,7-8,15H,5-6H2.
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide?
N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 336.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3810708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).