N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide

C17H18N2O4S — CID 100785328

IUPACN-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N2CCOc3ccccc32)cc1
InChIInChI=1S/C17H18N2O4S/c1-2-24(21,22)18-14-9-7-13(8-10-14)17(20)19-11-12-23-16-6-4-3-5-15(16)19/h3-10,18H,2,11-12H2,1H3
InChIKeyQMXMQWSQRMPKOP-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.49
Rot. Bonds4

About N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide

N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide (PubChem CID 100785328) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide
PubChem CID100785328
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N2CCOc3ccccc32)cc1
InChIInChI=1S/C17H18N2O4S/c1-2-24(21,22)18-14-9-7-13(8-10-14)17(20)19-11-12-23-16-6-4-3-5-15(16)19/h3-10,18H,2,11-12H2,1H3
InChIKeyQMXMQWSQRMPKOP-UHFFFAOYSA-N
XLogP2.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]-N-methylethanesulfonamide
CID 100785453
N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]cyclopropanecarboxamide
CID 31921302
N-[[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]methyl]acetamide
CID 43071892
4-[4-(ethylsulfonylamino)benzoyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133260872
N-(2-cyanoethyl)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)benzenesulfonamide
CID 43074276
2,3-dihydro-1,4-benzoxazin-4-yl-(4-ethoxy-3-methoxyphenyl)methanone
CID 43074269
2,3-dihydro-1,4-benzoxazin-4-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111332091
N-[4-(3,4-dihydro-2H-1,5-benzoxazepine-5-carbonyl)phenyl]-2-methylbenzamide
CID 10620180
5-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)pyridine-2-carboxylic acid
CID 117213074
N-[4-(piperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 2995976
N-[2-chloro-5-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]-N-methylmethanesulfonamide
CID 100786390
(6-bromo-3-pyridinyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 66464478

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide (CID 100785328) is N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(=O)N2CCOc3ccccc32)cc1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide?
The InChIKey is QMXMQWSQRMPKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-2-24(21,22)18-14-9-7-13(8-10-14)17(20)19-11-12-23-16-6-4-3-5-15(16)19/h3-10,18H,2,11-12H2,1H3.
What are the key properties of N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide?
N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 100785328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).