2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide

C18H21NO4S — CID 110789881

IUPAC2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
SMILESCc1cc2c(cc1CCNS(=O)(=O)c1ccccc1C)OCCO2
InChIInChI=1S/C18H21NO4S/c1-13-5-3-4-6-18(13)24(20,21)19-8-7-15-12-17-16(11-14(15)2)22-9-10-23-17/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyXCAAJLXZMBDOSQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.60
Rot. Bonds5

About 2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide

2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide (PubChem CID 110789881) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
PubChem CID110789881
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
SMILESCc1cc2c(cc1CCNS(=O)(=O)c1ccccc1C)OCCO2
InChIInChI=1S/C18H21NO4S/c1-13-5-3-4-6-18(13)24(20,21)19-8-7-15-12-17-16(11-14(15)2)22-9-10-23-17/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyXCAAJLXZMBDOSQ-UHFFFAOYSA-N
XLogP2.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 110789876
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
CID 110370751
5-amino-2-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 78984276
2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 22722440
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 110718865
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 110789849
N-[2-(2-hydroxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110605313
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine
CID 82475603
7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758925
2-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzenesulfonamide
CID 110369880
2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3685302

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide (CID 110789881) is 2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide is Cc1cc2c(cc1CCNS(=O)(=O)c1ccccc1C)OCCO2.
What is the InChIKey of 2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is XCAAJLXZMBDOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13-5-3-4-6-18(13)24(20,21)19-8-7-15-12-17-16(11-14(15)2)22-9-10-23-17/h3-6,11-12,19H,7-10H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110789881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).