N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide

C14H22N2O3S — CID 82836544

IUPACN-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC2CCC(C)O2)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-16-20(17,18)14-8-5-12(6-9-14)15-10-13-7-4-11(2)19-13/h5-6,8-9,11,13,15-16H,3-4,7,10H2,1-2H3
InChIKeyIZZKYWNCNMKIDR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.96
Rot. Bonds6

About N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide

N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide (PubChem CID 82836544) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide
PubChem CID82836544
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC2CCC(C)O2)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-16-20(17,18)14-8-5-12(6-9-14)15-10-13-7-4-11(2)19-13/h5-6,8-9,11,13,15-16H,3-4,7,10H2,1-2H3
InChIKeyIZZKYWNCNMKIDR-UHFFFAOYSA-N
XLogP1.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide
CID 82834419
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
4-butan-2-yl-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82833888
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79360115
N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 106128063
N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107131760
4-(2-cyclohexylethylamino)-N-ethylbenzenesulfonamide
CID 60920186
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide
CID 43610408
5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
CID 82833702

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide (CID 82836544) is N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCC2CCC(C)O2)cc1.
What is the InChIKey of N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide?
The InChIKey is IZZKYWNCNMKIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-16-20(17,18)14-8-5-12(6-9-14)15-10-13-7-4-11(2)19-13/h5-6,8-9,11,13,15-16H,3-4,7,10H2,1-2H3.
What are the key properties of N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide?
N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 82836544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).