N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide

C19H23NO3S — CID 51127502

IUPACN-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-2-20(15-17-11-8-14-23-17)24(21,22)19-13-7-6-12-18(19)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3
InChIKeyRHZIPPDMQWRMCG-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.54
Rot. Bonds6

About N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide

N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide (PubChem CID 51127502) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide
PubChem CID51127502
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-2-20(15-17-11-8-14-23-17)24(21,22)19-13-7-6-12-18(19)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3
InChIKeyRHZIPPDMQWRMCG-UHFFFAOYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 61434279
5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61433419
3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 94198707
1-N-benzyl-1-N-ethyl-4-N-(furan-2-ylmethyl)-4-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-disulfonamide
CID 25410526
4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61434089
N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide
CID 110753053
3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748534
4-N-[(4-chlorophenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189851
N'-[benzyl(methyl)sulfamoyl]-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 131935981
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 62157823
N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 61435584
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide (CID 51127502) is N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide is CCN(CC1CCCO1)S(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide?
The InChIKey is RHZIPPDMQWRMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-2-20(15-17-11-8-14-23-17)24(21,22)19-13-7-6-12-18(19)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide?
N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide has a molecular weight of 345.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide is sourced from PubChem (CID 51127502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).