N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide

C13H21NO4S — CID 60744825

IUPACN,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H21NO4S/c1-6-14(7-2)19(15,16)13-9-12(18-5)11(17-4)8-10(13)3/h8-9H,6-7H2,1-5H3
InChIKeySJHXFOHXNGPDHX-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.04
Rot. Bonds6

About N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide

N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide (PubChem CID 60744825) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
PubChem CID60744825
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H21NO4S/c1-6-14(7-2)19(15,16)13-9-12(18-5)11(17-4)8-10(13)3/h8-9H,6-7H2,1-5H3
InChIKeySJHXFOHXNGPDHX-UHFFFAOYSA-N
XLogP2.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 79973956
N-[4-(diethylsulfamoyl)-2-methoxy-5-methylphenyl]acetamide
CID 14895987
N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide
CID 55104084
5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 79973709
4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
CID 82475781
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100528166
4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide
CID 7574310
N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 60754894
N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 119982633
4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541458

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide (CID 60744825) is N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(OC)c(OC)cc1C.
What is the InChIKey of N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide?
The InChIKey is SJHXFOHXNGPDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-6-14(7-2)19(15,16)13-9-12(18-5)11(17-4)8-10(13)3/h8-9H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide?
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 60744825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).