5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine

C10H9ClN4O2S — CID 2819040

IUPAC5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine
SMILESNc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C10H9ClN4O2S/c11-6-1-3-7(4-2-6)18(16,17)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)
InChIKeyRPPFHWBHHCJZJS-UHFFFAOYSA-N
MW284.73 g/mol
LogP1.13
Rot. Bonds2

About 5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine

5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine (PubChem CID 2819040) has the molecular formula C10H9ClN4O2S and a molecular weight of 284.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine
PubChem CID2819040
Molecular FormulaC10H9ClN4O2S
Molecular Weight284.73 g/mol
Exact Mass284.01
IUPAC Name5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine
SMILESNc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C10H9ClN4O2S/c11-6-1-3-7(4-2-6)18(16,17)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)
InChIKeyRPPFHWBHHCJZJS-UHFFFAOYSA-N
XLogP1.13
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[5-(4-Chlorophenyl)sulfanylpyrimidin-4-yl]morpholine
CID 44531111
Pyrimidine, 2-(p-chlorophenylthio)-
CID 141302
4-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyrimidine-2-carbonitrile
CID 57335202
5-(4-Chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine
CID 2819036
(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)sulfonylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine (CID 2819040) is 5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine is Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine?
The InChIKey is RPPFHWBHHCJZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S/c11-6-1-3-7(4-2-6)18(16,17)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15).
What are the key properties of 5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine?
5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine has a molecular weight of 284.73 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonylpyrimidine-2,4-diamine is sourced from PubChem (CID 2819040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).