N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide

C11H15ClN2O3S — CID 114270035

IUPACN-(3-amino-2-chlorophenyl)oxane-4-sulfonamide
SMILESNc1cccc(NS(=O)(=O)C2CCOCC2)c1Cl
InChIInChI=1S/C11H15ClN2O3S/c12-11-9(13)2-1-3-10(11)14-18(15,16)8-4-6-17-7-5-8/h1-3,8,14H,4-7,13H2
InChIKeyVZUQOIVXNNBSLZ-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.84
Rot. Bonds3

About N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide

N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide (PubChem CID 114270035) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-chlorophenyl)oxane-4-sulfonamide
PubChem CID114270035
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN-(3-amino-2-chlorophenyl)oxane-4-sulfonamide
SMILESNc1cccc(NS(=O)(=O)C2CCOCC2)c1Cl
InChIInChI=1S/C11H15ClN2O3S/c12-11-9(13)2-1-3-10(11)14-18(15,16)8-4-6-17-7-5-8/h1-3,8,14H,4-7,13H2
InChIKeyVZUQOIVXNNBSLZ-UHFFFAOYSA-N
XLogP1.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide
CID 62047509
N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide
CID 55037574
2-methyl-6-(oxan-4-ylsulfonylamino)benzenecarbothioamide
CID 107799054
N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide
CID 62048974
N-[(3-amino-2-methylphenyl)methyl]oxane-4-sulfonamide
CID 103110626
N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide
CID 81313587
N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide
CID 62047703
2-(oxan-4-ylsulfonyl)aniline
CID 63936905
N-(6-amino-3-pyridinyl)oxane-4-sulfonamide
CID 62047735
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]oxane-4-sulfonamide
CID 81280588
N-(3-chlorophenyl)cyclopropanesulfonamide
CID 45497298
N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide
CID 55031487

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide?
The IUPAC name of N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide (CID 114270035) is N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide?
The canonical SMILES for N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide is Nc1cccc(NS(=O)(=O)C2CCOCC2)c1Cl.
What is the InChIKey of N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide?
The InChIKey is VZUQOIVXNNBSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c12-11-9(13)2-1-3-10(11)14-18(15,16)8-4-6-17-7-5-8/h1-3,8,14H,4-7,13H2.
What are the key properties of N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide?
N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide has a molecular weight of 290.77 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide is sourced from PubChem (CID 114270035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).