N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide

C16H17NO4S — CID 169370766

IUPACN-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C2OCCO2)cc1
InChIInChI=1S/C16H17NO4S/c1-12-6-8-13(9-7-12)22(18,19)17-15-5-3-2-4-14(15)16-20-10-11-21-16/h2-9,16-17H,10-11H2,1H3
InChIKeyKWCLTDLWCLEVGW-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.84
Rot. Bonds4

About N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide

N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169370766) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169370766
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C2OCCO2)cc1
InChIInChI=1S/C16H17NO4S/c1-12-6-8-13(9-7-12)22(18,19)17-15-5-3-2-4-14(15)16-20-10-11-21-16/h2-9,16-17H,10-11H2,1H3
InChIKeyKWCLTDLWCLEVGW-UHFFFAOYSA-N
XLogP2.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 5013435
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
N-[2-(3-cyclopropyl-1-hydroxyprop-2-ynyl)phenyl]-4-methylbenzenesulfonamide
CID 71501621
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-[2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]-4-methylbenzenesulfonamide
CID 10717871
4-methyl-N-[2-[(4S)-2-oxo-1-[(E)-4-oxobut-2-enyl]-3,4-dihydropyridin-4-yl]phenyl]benzenesulfonamide
CID 164666986
1-N-methyl-4-N-[2-(4-methylanilino)phenyl]benzene-1,4-disulfonamide
CID 39977625
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide (CID 169370766) is N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C2OCCO2)cc1.
What is the InChIKey of N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is KWCLTDLWCLEVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-12-6-8-13(9-7-12)22(18,19)17-15-5-3-2-4-14(15)16-20-10-11-21-16/h2-9,16-17H,10-11H2,1H3.
What are the key properties of N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide?
N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).