2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide

C17H13Cl2N3O2S — CID 39000746

IUPAC2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
SMILESCc1nccc(-c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)n1
InChIInChI=1S/C17H13Cl2N3O2S/c1-11-20-8-7-16(21-11)12-3-2-4-14(9-12)22-25(23,24)17-10-13(18)5-6-15(17)19/h2-10,22H,1H3
InChIKeyXUJAYNXGFVQFIU-UHFFFAOYSA-N
MW394.28 g/mol
LogP4.56
Rot. Bonds4

About 2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide

2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide (PubChem CID 39000746) has the molecular formula C17H13Cl2N3O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
PubChem CID39000746
Molecular FormulaC17H13Cl2N3O2S
Molecular Weight394.28 g/mol
Exact Mass393.01
IUPAC Name2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
SMILESCc1nccc(-c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)n1
InChIInChI=1S/C17H13Cl2N3O2S/c1-11-20-8-7-16(21-11)12-3-2-4-14(9-12)22-25(23,24)17-10-13(18)5-6-15(17)19/h2-10,22H,1H3
InChIKeyXUJAYNXGFVQFIU-UHFFFAOYSA-N
XLogP4.56
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
CID 71886439
4-tert-butyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
CID 3856814
2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159256
N-[3-(2-methylpyrimidin-4-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2819593
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 39833676
2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 43985767
2-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-6-nitrobenzenesulfonamide
CID 47062867
2,5-dichloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427465
2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 2218577
2,5-dichloro-N-(3-ethynylphenyl)benzenesulfonamide
CID 30284577
5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286211
2,5-dichloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41006096

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide (CID 39000746) is 2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide is Cc1nccc(-c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)n1.
What is the InChIKey of 2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide?
The InChIKey is XUJAYNXGFVQFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2S/c1-11-20-8-7-16(21-11)12-3-2-4-14(9-12)22-25(23,24)17-10-13(18)5-6-15(17)19/h2-10,22H,1H3.
What are the key properties of 2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide has a molecular weight of 394.28 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 39000746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).