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

C13H19NO4S — CID 107389989

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C13H19NO4S/c1-10-6-4-5-7-12(10)19(15,16)14-8-11-9-17-13(2,3)18-11/h4-7,11,14H,8-9H2,1-3H3
InChIKeyAEVXUXOODDNFNJ-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.42
Rot. Bonds4

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide (PubChem CID 107389989) 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]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide
PubChem CID107389989
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C13H19NO4S/c1-10-6-4-5-7-12(10)19(15,16)14-8-11-9-17-13(2,3)18-11/h4-7,11,14H,8-9H2,1-3H3
InChIKeyAEVXUXOODDNFNJ-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

2-methyl-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 11839503
N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
CID 3846450
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 16800168
N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)-2,4,6-trimethylbenzenesulfonamide
CID 18583962
N-(2,2-diethoxyethyl)-4-methylbenzene-1-sulfonamide
CID 11066098
N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)-4-fluoro-3-methylbenzenesulfonamide
CID 18583971
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 41412210
4-methyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 2204749
N-(3-methoxypropyl)-2-methylbenzenesulfonamide
CID 7314047
N-[5-(1,4-dioxaspiro[4.5]decan-8-ylidene)pent-4-enyl]-4-methylbenzenesulfonamide
CID 102402034
[2-Acetyloxy-3-[(4-methylphenyl)sulfonylamino]propyl] acetate
CID 134845297
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3317695

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide (CID 107389989) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is AEVXUXOODDNFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-6-4-5-7-12(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]-2-methylbenzenesulfonamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-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]-2-methylbenzenesulfonamide is sourced from PubChem (CID 107389989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).