2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide

C13H15ClN2O2S2 — CID 61126736

IUPAC2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H15ClN2O2S2/c1-2-16(9-10-7-8-13(14)19-10)20(17,18)12-6-4-3-5-11(12)15/h3-8H,2,9,15H2,1H3
InChIKeyYGGVDIZSTJTFLY-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.19
Rot. Bonds5

About 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide (PubChem CID 61126736) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
PubChem CID61126736
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H15ClN2O2S2/c1-2-16(9-10-7-8-13(14)19-10)20(17,18)12-6-4-3-5-11(12)15/h3-8H,2,9,15H2,1H3
InChIKeyYGGVDIZSTJTFLY-UHFFFAOYSA-N
XLogP3.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 63402190
1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide
CID 62020358
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 9301903
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide
CID 134002462
2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60980494
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
CID 107650976
(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide
CID 9301914
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 9301957
5-[(5-chlorothiophen-2-yl)methyl-ethylsulfamoyl]furan-2-carboxylic acid
CID 60954031
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79380463
2-amino-N,N-dipropylbenzenesulfonamide
CID 16783844
2-[[(5-chlorothiophen-2-yl)methyl-propan-2-ylamino]methyl]aniline
CID 43460472

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide (CID 61126736) is 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide is CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide?
The InChIKey is YGGVDIZSTJTFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-2-16(9-10-7-8-13(14)19-10)20(17,18)12-6-4-3-5-11(12)15/h3-8H,2,9,15H2,1H3.
What are the key properties of 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide?
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide has a molecular weight of 330.86 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 61126736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).