N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide

C14H17ClN2O2S2 — CID 106023200

IUPACN-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H17ClN2O2S2/c1-2-16-10-13-7-8-14(20-13)21(18,19)17-9-11-3-5-12(15)6-4-11/h3-8,16-17H,2,9-10H2,1H3
InChIKeyICQLSQUMOIYSFO-UHFFFAOYSA-N
MW344.89 g/mol
LogP2.99
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide

N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106023200) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
PubChem CID106023200
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H17ClN2O2S2/c1-2-16-10-13-7-8-14(20-13)21(18,19)17-9-11-3-5-12(15)6-4-11/h3-8,16-17H,2,9-10H2,1H3
InChIKeyICQLSQUMOIYSFO-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066943
5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074733
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106052050
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106092326
5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106078061
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
N-(3,3-dimethylbutan-2-yl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106079092
N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106029020
5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
CID 43242482

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide (CID 106023200) is N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is ICQLSQUMOIYSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-2-16-10-13-7-8-14(20-13)21(18,19)17-9-11-3-5-12(15)6-4-11/h3-8,16-17H,2,9-10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide?
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 344.89 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106023200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).