N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide

C11H10Cl2N4O2S — CID 154337596

IUPACN-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide
SMILESCc1nc(Cl)c(N)c(NS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N4O2S/c1-6-15-10(13)9(14)11(16-6)17-20(18,19)8-4-2-3-7(12)5-8/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyITXAFIKOAPUWEK-UHFFFAOYSA-N
MW333.20 g/mol
LogP2.47
Rot. Bonds3

About N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide

N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide (PubChem CID 154337596) has the molecular formula C11H10Cl2N4O2S and a molecular weight of 333.20 g/mol. Its IUPAC name is N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide
PubChem CID154337596
Molecular FormulaC11H10Cl2N4O2S
Molecular Weight333.20 g/mol
Exact Mass331.99
IUPAC NameN-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide
SMILESCc1nc(Cl)c(N)c(NS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N4O2S/c1-6-15-10(13)9(14)11(16-6)17-20(18,19)8-4-2-3-7(12)5-8/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyITXAFIKOAPUWEK-UHFFFAOYSA-N
XLogP2.47
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1400465
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 62686573
3-chlorobenzenesulfonohydrazide
CID 12924057
3-chloro-N-[3-(4-ethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1403080
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 43547574
3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734194
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643674
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide (CID 154337596) is N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide is Cc1nc(Cl)c(N)c(NS(=O)(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide?
The InChIKey is ITXAFIKOAPUWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O2S/c1-6-15-10(13)9(14)11(16-6)17-20(18,19)8-4-2-3-7(12)5-8/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide?
N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide has a molecular weight of 333.20 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-chloro-2-methylpyrimidin-4-yl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 154337596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).