5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine

C11H10ClN3O2S — CID 2819036

IUPAC5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine
SMILESCc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C11H10ClN3O2S/c1-7-14-6-10(11(13)15-7)18(16,17)9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15)
InChIKeyHIUYEVDUASCTAB-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.85
Rot. Bonds2

About 5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine

5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine (PubChem CID 2819036) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine
PubChem CID2819036
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine
SMILESCc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C11H10ClN3O2S/c1-7-14-6-10(11(13)15-7)18(16,17)9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15)
InChIKeyHIUYEVDUASCTAB-UHFFFAOYSA-N
XLogP1.85
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Chloro-benzenesulfonyl)-pyrimidine-2,4-diamine
CID 2819040
2-[4-(4-Chlorobenzenesulfonyl)piperazin-1-yl]pyrimidine
CID 703841
4-Chloro-N-pyrimidin-2-yl-benzenesulfonamide
CID 935725
5-(tert-Butylsulfonyl)-2-(4-chlorophenyl)pyrimidin-4-amine
CID 546665
N~2~,N~2~-dimethyl-5-(phenylsulfonyl)-2,4-pyrimidinediamine
CID 1488188
4-Chlorophenyl 2-methyl-4-phenyl-5-pyrimidinyl sulfone
CID 1488253
Pyrimidine, 2-(p-chlorophenylthio)-
CID 141302
4-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyrimidine-2-carbonitrile
CID 57335202
(E)-2-(2-chlorophenyl)sulfonyl-3-(pyrimidin-2-ylamino)prop-2-enenitrile
CID 2819209
5-[(4-Chlorophenyl)sulfanyl]-4-methyl-2-pyrimidinylamine
CID 1475314
Pyrimidine, 2,4-diamino-5-(p-chlorophenylthio)-
CID 23423597
4-[5-(4-Chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine
CID 2819306

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine (CID 2819036) is 5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine is Cc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine?
The InChIKey is HIUYEVDUASCTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-7-14-6-10(11(13)15-7)18(16,17)9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine?
5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine has a molecular weight of 283.74 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 2819036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).