5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide

C13H18ClNO5S — CID 110359396

IUPAC5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCC1(C)OCCO1
InChIInChI=1S/C13H18ClNO5S/c1-13(19-7-8-20-13)5-6-15-21(16,17)12-9-10(14)3-4-11(12)18-2/h3-4,9,15H,5-8H2,1-2H3
InChIKeySADNDNPHFWBPFH-UHFFFAOYSA-N
MW335.81 g/mol
LogP1.78
Rot. Bonds6

About 5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide

5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide (PubChem CID 110359396) has the molecular formula C13H18ClNO5S and a molecular weight of 335.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
PubChem CID110359396
Molecular FormulaC13H18ClNO5S
Molecular Weight335.81 g/mol
Exact Mass335.06
IUPAC Name5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCC1(C)OCCO1
InChIInChI=1S/C13H18ClNO5S/c1-13(19-7-8-20-13)5-6-15-21(16,17)12-9-10(14)3-4-11(12)18-2/h3-4,9,15H,5-8H2,1-2H3
InChIKeySADNDNPHFWBPFH-UHFFFAOYSA-N
XLogP1.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359367
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 113065075
5-chloro-2-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789299
5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide
CID 119105417
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
CID 110601266
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
CID 70601990
CID 70601990
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
CID 110446678
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide (CID 110359396) is 5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCC1(C)OCCO1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SADNDNPHFWBPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO5S/c1-13(19-7-8-20-13)5-6-15-21(16,17)12-9-10(14)3-4-11(12)18-2/h3-4,9,15H,5-8H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 335.81 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110359396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).