N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide

C12H15ClN4O2S2 — CID 133387741

IUPACN-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
SMILESCc1nc(Cl)cc(NCCN(C)S(=O)(=O)c2cccs2)n1
InChIInChI=1S/C12H15ClN4O2S2/c1-9-15-10(13)8-11(16-9)14-5-6-17(2)21(18,19)12-4-3-7-20-12/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyQRIBJTUIVOEUJH-UHFFFAOYSA-N
MW346.87 g/mol
LogP2.23
Rot. Bonds6

About N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide

N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 133387741) has the molecular formula C12H15ClN4O2S2 and a molecular weight of 346.87 g/mol. Its IUPAC name is N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
PubChem CID133387741
Molecular FormulaC12H15ClN4O2S2
Molecular Weight346.87 g/mol
Exact Mass346.03
IUPAC NameN-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
SMILESCc1nc(Cl)cc(NCCN(C)S(=O)(=O)c2cccs2)n1
InChIInChI=1S/C12H15ClN4O2S2/c1-9-15-10(13)8-11(16-9)14-5-6-17(2)21(18,19)12-4-3-7-20-12/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyQRIBJTUIVOEUJH-UHFFFAOYSA-N
XLogP2.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.87
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(1-chloroisoquinolin-3-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387627
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397375
N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387641
N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide
CID 133387573
N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133387661
N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide
CID 120971740
N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide
CID 133387707
N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide
CID 133387653
N-methyl-N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]thiophene-2-sulfonamide
CID 133387638
N-methyl-N-[2-[[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]thiophene-2-sulfonamide
CID 66878303
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide (CID 133387741) is N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide is Cc1nc(Cl)cc(NCCN(C)S(=O)(=O)c2cccs2)n1.
What is the InChIKey of N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is QRIBJTUIVOEUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S2/c1-9-15-10(13)8-11(16-9)14-5-6-17(2)21(18,19)12-4-3-7-20-12/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide?
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 346.87 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 133387741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).