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

C13H19NO4S — CID 3261303

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2COC(C)(C)O2)c1
InChIInChI=1S/C13H19NO4S/c1-10-5-4-6-12(7-10)19(15,16)14-8-11-9-17-13(2,3)18-11/h4-7,11,14H,8-9H2,1-3H3
InChIKeyCQAUDABORUMCME-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.42
Rot. Bonds4

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide (PubChem CID 3261303) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide
PubChem CID3261303
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC2COC(C)(C)O2)c1
InChIInChI=1S/C13H19NO4S/c1-10-5-4-6-12(7-10)19(15,16)14-8-11-9-17-13(2,3)18-11/h4-7,11,14H,8-9H2,1-3H3
InChIKeyCQAUDABORUMCME-UHFFFAOYSA-N
XLogP1.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 103815248
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 107389989
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide
CID 3836231
2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide
CID 3317691
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 113267686
2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide
CID 103815251
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 41412210
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-9,10-dioxoanthracene-1-sulfonamide
CID 74227907
3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710191
2-chloro-5-cyano-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzenesulfonamide
CID 107389862
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110294186

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide (CID 3261303) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCC2COC(C)(C)O2)c1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is CQAUDABORUMCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-5-4-6-12(7-10)19(15,16)14-8-11-9-17-13(2,3)18-11/h4-7,11,14H,8-9H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide has a molecular weight of 285.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 3261303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).