2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide

C17H19N3O3S — CID 110666784

IUPAC2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C17H19N3O3S/c1-13-5-2-3-6-16(13)24(22,23)19-14-7-9-15(10-8-14)20-12-4-11-18-17(20)21/h2-3,5-10,19H,4,11-12H2,1H3,(H,18,21)
InChIKeyGHPHPKZWKGPCOL-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.72
Rot. Bonds4

About 2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide

2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide (PubChem CID 110666784) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
PubChem CID110666784
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C17H19N3O3S/c1-13-5-2-3-6-16(13)24(22,23)19-14-7-9-15(10-8-14)20-12-4-11-18-17(20)21/h2-3,5-10,19H,4,11-12H2,1H3,(H,18,21)
InChIKeyGHPHPKZWKGPCOL-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874034
3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873996
1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane
CID 110666756
5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide
CID 110666773
4-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 46680409
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide
CID 110666780
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110666787
4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873999
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 110352354
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666665
N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 71102161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide (CID 110666784) is 2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCCNC2=O)cc1.
What is the InChIKey of 2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide?
The InChIKey is GHPHPKZWKGPCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-13-5-2-3-6-16(13)24(22,23)19-14-7-9-15(10-8-14)20-12-4-11-18-17(20)21/h2-3,5-10,19H,4,11-12H2,1H3,(H,18,21).
What are the key properties of 2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide?
2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110666784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).