N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide

C13H20N2O3S — CID 43610408

IUPACN-ethyl-4-(oxan-4-ylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-14-19(16,17)13-5-3-11(4-6-13)15-12-7-9-18-10-8-12/h3-6,12,14-15H,2,7-10H2,1H3
InChIKeyROVJULGLUGPIFN-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.58
Rot. Bonds5

About N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide

N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide (PubChem CID 43610408) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(oxan-4-ylamino)benzenesulfonamide
PubChem CID43610408
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-ethyl-4-(oxan-4-ylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-14-19(16,17)13-5-3-11(4-6-13)15-12-7-9-18-10-8-12/h3-6,12,14-15H,2,7-10H2,1H3
InChIKeyROVJULGLUGPIFN-UHFFFAOYSA-N
XLogP1.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953
N-(4-ethylsulfonylphenyl)oxan-4-amine
CID 43610393
N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 65082034
(4S)-N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 124512282
N-(4-propylsulfonylphenyl)oxolan-3-amine
CID 80712945
N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
CID 79942375
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 62092881
1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea
CID 19680552
N-[4-(propylsulfamoyl)phenyl]oxane-4-carboxamide
CID 134062227
2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 120787166

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide (CID 43610408) is N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccc(NC2CCOCC2)cc1.
What is the InChIKey of N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide?
The InChIKey is ROVJULGLUGPIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-14-19(16,17)13-5-3-11(4-6-13)15-12-7-9-18-10-8-12/h3-6,12,14-15H,2,7-10H2,1H3.
What are the key properties of N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide?
N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 43610408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).