N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide

C12H17ClN2O3S — CID 107465842

IUPACN-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide
SMILESCN(c1cc(Cl)ccc1N)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H17ClN2O3S/c1-15(12-8-9(13)2-3-11(12)14)19(16,17)10-4-6-18-7-5-10/h2-3,8,10H,4-7,14H2,1H3
InChIKeyAVQCRLCHEPNFJN-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.87
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide

N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide (PubChem CID 107465842) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide
PubChem CID107465842
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide
SMILESCN(c1cc(Cl)ccc1N)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H17ClN2O3S/c1-15(12-8-9(13)2-3-11(12)14)19(16,17)10-4-6-18-7-5-10/h2-3,8,10H,4-7,14H2,1H3
InChIKeyAVQCRLCHEPNFJN-UHFFFAOYSA-N
XLogP1.87
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide (CID 107465842) is N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide is CN(c1cc(Cl)ccc1N)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide?
The InChIKey is AVQCRLCHEPNFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-15(12-8-9(13)2-3-11(12)14)19(16,17)10-4-6-18-7-5-10/h2-3,8,10H,4-7,14H2,1H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide?
N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 107465842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).