2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

C14H21NO3S — CID 91915494

IUPAC2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)N(C)CC1CCOC1
InChIInChI=1S/C14H21NO3S/c1-3-13-6-4-5-7-14(13)19(16,17)15(2)10-12-8-9-18-11-12/h4-7,12H,3,8-11H2,1-2H3
InChIKeyIDUCGKSPAPXXNI-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.91
Rot. Bonds5

About 2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 91915494) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID91915494
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)N(C)CC1CCOC1
InChIInChI=1S/C14H21NO3S/c1-3-13-6-4-5-7-14(13)19(16,17)15(2)10-12-8-9-18-11-12/h4-7,12H,3,8-11H2,1-2H3
InChIKeyIDUCGKSPAPXXNI-UHFFFAOYSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 91915497
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63713361
2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 102554956
2-bromo-N,5-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 97330561
5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 110875822
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
CID 95974974
N-methyl-N-(oxolan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 91905749
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide
CID 71975871
3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 71977813
5-chloro-2-methyl-3-[methyl-[[(3R)-oxolan-3-yl]methyl]sulfamoyl]benzoic acid
CID 100688470
2-bromo-N,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706922
3-[methyl(oxan-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597356

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 91915494) is 2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is CCc1ccccc1S(=O)(=O)N(C)CC1CCOC1.
What is the InChIKey of 2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is IDUCGKSPAPXXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-13-6-4-5-7-14(13)19(16,17)15(2)10-12-8-9-18-11-12/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 91915494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).