2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide

C17H18N2O4S — CID 110720565

IUPAC2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C3CNC(=O)O3)cc2)c1
InChIInChI=1S/C17H18N2O4S/c1-11-3-4-12(2)16(9-11)24(21,22)19-14-7-5-13(6-8-14)15-10-18-17(20)23-15/h3-9,15,19H,10H2,1-2H3,(H,18,20)
InChIKeyUUTIWKSUEBRGFI-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.89
Rot. Bonds4

About 2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide

2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide (PubChem CID 110720565) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide
PubChem CID110720565
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C3CNC(=O)O3)cc2)c1
InChIInChI=1S/C17H18N2O4S/c1-11-3-4-12(2)16(9-11)24(21,22)19-14-7-5-13(6-8-14)15-10-18-17(20)23-15/h3-9,15,19H,10H2,1-2H3,(H,18,20)
InChIKeyUUTIWKSUEBRGFI-UHFFFAOYSA-N
XLogP2.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844857
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
2,5-dimethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide
CID 90524864
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-2,5-dimethylbenzenesulfonamide
CID 40958759
1-cyclopropyl-3-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 46534979
N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 6467501
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389435
7-methyl-N-(4-methylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20914020
4-[(2,5-dimethylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386321

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide (CID 110720565) is 2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C3CNC(=O)O3)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide?
The InChIKey is UUTIWKSUEBRGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-3-4-12(2)16(9-11)24(21,22)19-14-7-5-13(6-8-14)15-10-18-17(20)23-15/h3-9,15,19H,10H2,1-2H3,(H,18,20).
What are the key properties of 2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide?
2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(2-oxo-1,3-oxazolidin-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110720565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).