N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide

C15H14Cl2N2O3S — CID 15951276

IUPACN-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)CNCCO2
InChIInChI=1S/C15H14Cl2N2O3S/c16-12-2-1-3-13(15(12)17)19-23(20,21)11-4-5-14-10(8-11)9-18-6-7-22-14/h1-5,8,18-19H,6-7,9H2
InChIKeyWLWFAUXAXPAOED-UHFFFAOYSA-N
MW373.26 g/mol
LogP3.28
Rot. Bonds3

About N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide

N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide (PubChem CID 15951276) has the molecular formula C15H14Cl2N2O3S and a molecular weight of 373.26 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide
PubChem CID15951276
Molecular FormulaC15H14Cl2N2O3S
Molecular Weight373.26 g/mol
Exact Mass372.01
IUPAC NameN-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)CNCCO2
InChIInChI=1S/C15H14Cl2N2O3S/c16-12-2-1-3-13(15(12)17)19-23(20,21)11-4-5-14-10(8-11)9-18-6-7-22-14/h1-5,8,18-19H,6-7,9H2
InChIKeyWLWFAUXAXPAOED-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1090608
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110344403
N-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629246
3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
CID 80547847
N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22518919
N-(2,3-dichlorophenyl)-3,5-difluorobenzenesulfonamide
CID 92510677
4-acetyl-N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519383
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
CID 126387209
2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ol;hydrochloride
CID 122164454
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807428
N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 3322444
N-(2,3-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507509

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide (CID 15951276) is N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide is O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)CNCCO2.
What is the InChIKey of N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide?
The InChIKey is WLWFAUXAXPAOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S/c16-12-2-1-3-13(15(12)17)19-23(20,21)11-4-5-14-10(8-11)9-18-6-7-22-14/h1-5,8,18-19H,6-7,9H2.
What are the key properties of N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide?
N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide has a molecular weight of 373.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide is sourced from PubChem (CID 15951276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).