1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide

C14H17ClN2O2S2 — CID 62020358

IUPAC1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C14H17ClN2O2S2/c1-2-17(9-12-7-8-14(15)20-12)21(18,19)10-11-5-3-4-6-13(11)16/h3-8H,2,9-10,16H2,1H3
InChIKeyAHDTVBMULRGZTB-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.34
Rot. Bonds6

About 1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide

1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide (PubChem CID 62020358) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide
PubChem CID62020358
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C14H17ClN2O2S2/c1-2-17(9-12-7-8-14(15)20-12)21(18,19)10-11-5-3-4-6-13(11)16/h3-8H,2,9-10,16H2,1H3
InChIKeyAHDTVBMULRGZTB-UHFFFAOYSA-N
XLogP3.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.34
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-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 61126736
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide
CID 86808037
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
CID 107650976
2-[[(5-chlorothiophen-2-yl)methyl-propan-2-ylamino]methyl]aniline
CID 43460472
1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79381244
(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide
CID 9301914
2-amino-4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 63402190
1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 9301903
N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80576976
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide
CID 134002462
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide (CID 62020358) is 1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide is CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide?
The InChIKey is AHDTVBMULRGZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-2-17(9-12-7-8-14(15)20-12)21(18,19)10-11-5-3-4-6-13(11)16/h3-8H,2,9-10,16H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide?
1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide has a molecular weight of 344.89 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 62020358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).