N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide

C14H14ClN3O2S2 — CID 133387707

IUPACN-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCNc1c(Cl)cccc1C#N)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14ClN3O2S2/c1-18(22(19,20)13-6-3-9-21-13)8-7-17-14-11(10-16)4-2-5-12(14)15/h2-6,9,17H,7-8H2,1H3
InChIKeyAJTBUKYZCIDFFN-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.01
Rot. Bonds6

About N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide

N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 133387707) has the molecular formula C14H14ClN3O2S2 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide
PubChem CID133387707
Molecular FormulaC14H14ClN3O2S2
Molecular Weight355.87 g/mol
Exact Mass355.02
IUPAC NameN-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCNc1c(Cl)cccc1C#N)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14ClN3O2S2/c1-18(22(19,20)13-6-3-9-21-13)8-7-17-14-11(10-16)4-2-5-12(14)15/h2-6,9,17H,7-8H2,1H3
InChIKeyAJTBUKYZCIDFFN-UHFFFAOYSA-N
XLogP3.01
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387641
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387741
N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133387661
N-[2-[(1-chloroisoquinolin-3-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387627
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide
CID 120971740
N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133387693
N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 137265087
N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide
CID 133387653
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
3-chloro-2-[[4-(methylsulfonylmethyl)phenyl]methylamino]benzonitrile
CID 133319619
N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide
CID 63397170

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide (CID 133387707) is N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide is CN(CCNc1c(Cl)cccc1C#N)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is AJTBUKYZCIDFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S2/c1-18(22(19,20)13-6-3-9-21-13)8-7-17-14-11(10-16)4-2-5-12(14)15/h2-6,9,17H,7-8H2,1H3.
What are the key properties of N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide?
N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 355.87 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 133387707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).