5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide

C17H14Cl2N4O2S — CID 142783722

IUPAC5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide
SMILESCc1nc(N)ncc1-c1cc(-c2ccc(Cl)cc2)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C17H14Cl2N4O2S/c1-9-14(8-22-17(20)23-9)11-6-13(10-2-4-12(18)5-3-10)16(19)15(7-11)26(21,24)25/h2-8H,1H3,(H2,20,22,23)(H2,21,24,25)
InChIKeyIYVFUBWIABGUAV-UHFFFAOYSA-N
MW409.30 g/mol
LogP3.66
Rot. Bonds3

About 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide

5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide (PubChem CID 142783722) has the molecular formula C17H14Cl2N4O2S and a molecular weight of 409.30 g/mol. Its IUPAC name is 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide
PubChem CID142783722
Molecular FormulaC17H14Cl2N4O2S
Molecular Weight409.30 g/mol
Exact Mass408.02
IUPAC Name5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide
SMILESCc1nc(N)ncc1-c1cc(-c2ccc(Cl)cc2)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C17H14Cl2N4O2S/c1-9-14(8-22-17(20)23-9)11-6-13(10-2-4-12(18)5-3-10)16(19)15(7-11)26(21,24)25/h2-8H,1H3,(H2,20,22,23)(H2,21,24,25)
InChIKeyIYVFUBWIABGUAV-UHFFFAOYSA-N
XLogP3.66
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 142783755
5-(2-amino-4-methylpyrimidin-5-yl)-2-methyl-3-phenylbenzenesulfonamide
CID 142783786
5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-piperidin-4-ylbenzenesulfonamide
CID 142783760
N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide
CID 68726786
5-(6-amino-4-methyl-3-pyridinyl)-2-chloro-3-(6-cyano-3-pyridinyl)benzenesulfonamide
CID 142783750
5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 25206724
5-(2-amino-4-methylpyrimidin-5-yl)-2-bromo-3-(2-methoxyethyl)benzenesulfonamide
CID 142783742
5-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpyrimidin-2-amine
CID 25206893
2-(N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]sulfonylanilino)guanidine
CID 68726489
4-chloro-5-(4-methylphenyl)pyrimidin-2-amine
CID 117260801
3-(3-bromo-4-methylphenyl)-2,5-dichlorobenzenesulfonamide
CID 175850282
5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide
CID 67622969

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide?
The IUPAC name of 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide (CID 142783722) is 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide is Cc1nc(N)ncc1-c1cc(-c2ccc(Cl)cc2)c(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide?
The InChIKey is IYVFUBWIABGUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2S/c1-9-14(8-22-17(20)23-9)11-6-13(10-2-4-12(18)5-3-10)16(19)15(7-11)26(21,24)25/h2-8H,1H3,(H2,20,22,23)(H2,21,24,25).
What are the key properties of 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide?
5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide has a molecular weight of 409.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 142783722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).