2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide

C13H17Cl2NO4S — CID 3317691

IUPAC2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2COC(C)(C)O2)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO4S/c1-8-4-12(11(15)5-10(8)14)21(17,18)16-6-9-7-19-13(2,3)20-9/h4-5,9,16H,6-7H2,1-3H3
InChIKeySPYZBNSWEXMYGY-UHFFFAOYSA-N
MW354.26 g/mol
LogP2.73
Rot. Bonds4

About 2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide

2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide (PubChem CID 3317691) has the molecular formula C13H17Cl2NO4S and a molecular weight of 354.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide
PubChem CID3317691
Molecular FormulaC13H17Cl2NO4S
Molecular Weight354.26 g/mol
Exact Mass353.03
IUPAC Name2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2COC(C)(C)O2)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO4S/c1-8-4-12(11(15)5-10(8)14)21(17,18)16-6-9-7-19-13(2,3)20-9/h4-5,9,16H,6-7H2,1-3H3
InChIKeySPYZBNSWEXMYGY-UHFFFAOYSA-N
XLogP2.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide with MolForge

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Related Compounds

2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide
CID 103815251
2-chloro-5-cyano-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzenesulfonamide
CID 107389862
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 107389989
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide
CID 3261303
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-9,10-dioxoanthracene-1-sulfonamide
CID 74227907
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]-4-propylbenzenesulfonamide
CID 3836231
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 113267686
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 18583970
2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340
2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine
CID 106196952
2,6-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-nitroaniline
CID 104917974

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide (CID 3317691) is 2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC2COC(C)(C)O2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide?
The InChIKey is SPYZBNSWEXMYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO4S/c1-8-4-12(11(15)5-10(8)14)21(17,18)16-6-9-7-19-13(2,3)20-9/h4-5,9,16H,6-7H2,1-3H3.
What are the key properties of 2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide has a molecular weight of 354.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 3317691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).