2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide

C18H17N3O3S — CID 71886439

IUPAC2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(O)c(S(=O)(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1
InChIInChI=1S/C18H17N3O3S/c1-12-6-7-17(22)18(10-12)25(23,24)21-15-5-3-4-14(11-15)16-8-9-19-13(2)20-16/h3-11,21-22H,1-2H3
InChIKeyUBVQWXIASYMQFT-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.27
Rot. Bonds4

About 2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide

2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide (PubChem CID 71886439) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
PubChem CID71886439
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(O)c(S(=O)(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1
InChIInChI=1S/C18H17N3O3S/c1-12-6-7-17(22)18(10-12)25(23,24)21-15-5-3-4-14(11-15)16-8-9-19-13(2)20-16/h3-11,21-22H,1-2H3
InChIKeyUBVQWXIASYMQFT-UHFFFAOYSA-N
XLogP3.27
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
CID 39000746
4-tert-butyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
CID 3856814
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-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-6-nitrobenzenesulfonamide
CID 47062867
(E)-3-[3,4-dimethoxy-5-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfamoyl]phenyl]prop-2-enoic acid
CID 39000645
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
2-[[3-(2-methylpyrimidin-4-yl)anilino]methylidene]propanedinitrile
CID 168542375
N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 39833657
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707140
2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide
CID 171822730
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159293

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide (CID 71886439) is 2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide is Cc1ccc(O)c(S(=O)(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide?
The InChIKey is UBVQWXIASYMQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12-6-7-17(22)18(10-12)25(23,24)21-15-5-3-4-14(11-15)16-8-9-19-13(2)20-16/h3-11,21-22H,1-2H3.
What are the key properties of 2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide?
2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71886439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).