N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide

C14H20N2O5S — CID 70728076

IUPACN-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N2CCOCC(O)C2)cc1
InChIInChI=1S/C14H20N2O5S/c1-2-22(19,20)15-12-5-3-11(4-6-12)14(18)16-7-8-21-10-13(17)9-16/h3-6,13,15,17H,2,7-10H2,1H3
InChIKeyQFOXJNGAAWCBNL-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.28
Rot. Bonds4

About N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide

N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide (PubChem CID 70728076) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide
PubChem CID70728076
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC NameN-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N2CCOCC(O)C2)cc1
InChIInChI=1S/C14H20N2O5S/c1-2-22(19,20)15-12-5-3-11(4-6-12)14(18)16-7-8-21-10-13(17)9-16/h3-6,13,15,17H,2,7-10H2,1H3
InChIKeyQFOXJNGAAWCBNL-UHFFFAOYSA-N
XLogP0.28
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide
CID 87027248
N-[4-(piperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 2995976
N-[4-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidine-1-carbonyl]phenyl]ethanesulfonamide
CID 91784135
N-[4-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carbonyl]phenyl]ethanesulfonamide
CID 70708027
N-[4-(3-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 110637445
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
(6-hydroxy-1,4-oxazepan-4-yl)-(5-propylthiophen-3-yl)methanone
CID 70730804
(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone
CID 74231738
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
CID 110352756
N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]ethanesulfonamide
CID 100785328
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119539774
N-[4-[(1S,5R)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]ethanesulfonamide
CID 133260607

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide (CID 70728076) is N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(=O)N2CCOCC(O)C2)cc1.
What is the InChIKey of N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide?
The InChIKey is QFOXJNGAAWCBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-2-22(19,20)15-12-5-3-11(4-6-12)14(18)16-7-8-21-10-13(17)9-16/h3-6,13,15,17H,2,7-10H2,1H3.
What are the key properties of N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide?
N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 70728076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).