2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide

C17H16N4O3S — CID 69238712

IUPAC2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide
SMILESCOc1ccccc1-c1c(Nc2ncccn2)cccc1S(N)(=O)=O
InChIInChI=1S/C17H16N4O3S/c1-24-14-8-3-2-6-12(14)16-13(21-17-19-10-5-11-20-17)7-4-9-15(16)25(18,22)23/h2-11H,1H3,(H2,18,22,23)(H,19,20,21)
InChIKeyNQRVHWFPGAXGJP-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.54
Rot. Bonds5

About 2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide

2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide (PubChem CID 69238712) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide
PubChem CID69238712
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide
SMILESCOc1ccccc1-c1c(Nc2ncccn2)cccc1S(N)(=O)=O
InChIInChI=1S/C17H16N4O3S/c1-24-14-8-3-2-6-12(14)16-13(21-17-19-10-5-11-20-17)7-4-9-15(16)25(18,22)23/h2-11H,1H3,(H2,18,22,23)(H,19,20,21)
InChIKeyNQRVHWFPGAXGJP-UHFFFAOYSA-N
XLogP2.54
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572908
2-methoxy-3-[(2-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 168867113
2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide
CID 87794018
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 103816000
2-fluoro-3-methoxybenzenesulfonamide
CID 82811316
2,3-dimethoxybenzenesulfonamide;hydrochloride
CID 142896136
N-[2-[(3-sulfamoyl-2-pyridinyl)oxy]phenyl]acetamide
CID 115928437
4-[3-hydroxy-2-(2-methoxyphenyl)phenyl]benzenesulfonamide
CID 174432031
[3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 25022388
4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 15293859
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
2-(2-methoxyanilino)benzenesulfonic acid
CID 54523549

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide?
The IUPAC name of 2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide (CID 69238712) is 2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide?
The canonical SMILES for 2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide is COc1ccccc1-c1c(Nc2ncccn2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide?
The InChIKey is NQRVHWFPGAXGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-24-14-8-3-2-6-12(14)16-13(21-17-19-10-5-11-20-17)7-4-9-15(16)25(18,22)23/h2-11H,1H3,(H2,18,22,23)(H,19,20,21).
What are the key properties of 2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide?
2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide has a molecular weight of 356.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-(pyrimidin-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 69238712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).