N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide

C13H14Cl2N2O2S2 — CID 106066943

IUPACN-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C13H14Cl2N2O2S2/c1-2-16-8-9-6-7-12(20-9)21(18,19)17-13-10(14)4-3-5-11(13)15/h3-7,16-17H,2,8H2,1H3
InChIKeyFLLARMLVOQQQDN-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.97
Rot. Bonds6

About N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide

N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106066943) has the molecular formula C13H14Cl2N2O2S2 and a molecular weight of 365.31 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
PubChem CID106066943
Molecular FormulaC13H14Cl2N2O2S2
Molecular Weight365.31 g/mol
Exact Mass363.99
IUPAC NameN-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C13H14Cl2N2O2S2/c1-2-16-8-9-6-7-12(20-9)21(18,19)17-13-10(14)4-3-5-11(13)15/h3-7,16-17H,2,8H2,1H3
InChIKeyFLLARMLVOQQQDN-UHFFFAOYSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106029020
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074733
5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide
CID 106002671
5-(ethylaminomethyl)-N-(6-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106073184
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106058540
N-(3,3-dimethylbutan-2-yl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106079092
N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060431
N-(5-bromo-6-methyl-2-pyridinyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106070374
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106066981
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide (CID 106066943) is N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)s1.
What is the InChIKey of N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is FLLARMLVOQQQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2S2/c1-2-16-8-9-6-7-12(20-9)21(18,19)17-13-10(14)4-3-5-11(13)15/h3-7,16-17H,2,8H2,1H3.
What are the key properties of N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide?
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 365.31 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106066943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).