2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

C12H18N2O4S — CID 82355156

IUPAC2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
SMILESCCC1CNc2cc(S(=O)(=O)NCCO)ccc2O1
InChIInChI=1S/C12H18N2O4S/c1-2-9-8-13-11-7-10(3-4-12(11)18-9)19(16,17)14-5-6-15/h3-4,7,9,13-15H,2,5-6,8H2,1H3
InChIKeyKXNJRVHXSYYALS-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.54
Rot. Bonds5

About 2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (PubChem CID 82355156) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
PubChem CID82355156
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
SMILESCCC1CNc2cc(S(=O)(=O)NCCO)ccc2O1
InChIInChI=1S/C12H18N2O4S/c1-2-9-8-13-11-7-10(3-4-12(11)18-9)19(16,17)14-5-6-15/h3-4,7,9,13-15H,2,5-6,8H2,1H3
InChIKeyKXNJRVHXSYYALS-UHFFFAOYSA-N
XLogP0.54
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82098746
2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355158
2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82355205
2-methyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82098710
2-N,8-N-bis(2-hydroxyethyl)phenoxathiine-2,8-disulfonamide
CID 134554178
2-[[2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]amino]acetic acid
CID 82261894
N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355179
N-hexyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82098729
2-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N,N-dimethylethanamine
CID 82261139
N-(3-oxobutyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82354989
N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355198
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (CID 82355156) is 2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is CCC1CNc2cc(S(=O)(=O)NCCO)ccc2O1.
What is the InChIKey of 2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is KXNJRVHXSYYALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-9-8-13-11-7-10(3-4-12(11)18-9)19(16,17)14-5-6-15/h3-4,7,9,13-15H,2,5-6,8H2,1H3.
What are the key properties of 2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 82355156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).