N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline

C14H16ClNO2S2 — CID 102846283

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NCCc1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO2S2/c1-2-20(17,18)13-6-4-3-5-12(13)16-10-9-11-7-8-14(15)19-11/h3-8,16H,2,9-10H2,1H3
InChIKeyQMYHPHVTINDAFK-UHFFFAOYSA-N
MW329.87 g/mol
LogP3.85
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline (PubChem CID 102846283) has the molecular formula C14H16ClNO2S2 and a molecular weight of 329.87 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
PubChem CID102846283
Molecular FormulaC14H16ClNO2S2
Molecular Weight329.87 g/mol
Exact Mass329.03
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccccc1NCCc1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO2S2/c1-2-20(17,18)13-6-4-3-5-12(13)16-10-9-11-7-8-14(15)19-11/h3-8,16H,2,9-10H2,1H3
InChIKeyQMYHPHVTINDAFK-UHFFFAOYSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048719
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfonyl)aniline
CID 103656020
N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
CID 62951511
N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 43743995
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylsulfonylaniline
CID 107123989
2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline
CID 43453652
2-ethylsulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 102846338
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
CID 106049286
N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline
CID 43738191
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106034931
4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048712
2-ethylsulfonyl-N-(4-methylpentyl)aniline
CID 54913636

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline (CID 102846283) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline is CCS(=O)(=O)c1ccccc1NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline?
The InChIKey is QMYHPHVTINDAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S2/c1-2-20(17,18)13-6-4-3-5-12(13)16-10-9-11-7-8-14(15)19-11/h3-8,16H,2,9-10H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline has a molecular weight of 329.87 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline is sourced from PubChem (CID 102846283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).