N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide

C10H14NO5PS — CID 12930637

IUPACN-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide
SMILESCOP1(=NS(=O)(=O)c2ccc(C)cc2)OCCO1
InChIInChI=1S/C10H14NO5PS/c1-9-3-5-10(6-4-9)18(12,13)11-17(14-2)15-7-8-16-17/h3-6H,7-8H2,1-2H3
InChIKeyBIOHLLYCEJQCOO-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.32
Rot. Bonds3

About N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide

N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 12930637) has the molecular formula C10H14NO5PS and a molecular weight of 291.26 g/mol. Its IUPAC name is N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID12930637
Molecular FormulaC10H14NO5PS
Molecular Weight291.26 g/mol
Exact Mass291.03
IUPAC NameN-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide
SMILESCOP1(=NS(=O)(=O)c2ccc(C)cc2)OCCO1
InChIInChI=1S/C10H14NO5PS/c1-9-3-5-10(6-4-9)18(12,13)11-17(14-2)15-7-8-16-17/h3-6H,7-8H2,1-2H3
InChIKeyBIOHLLYCEJQCOO-UHFFFAOYSA-N
XLogP2.32
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-methylbenzenesulfonate;hydrofluoride
CID 158630886
methyl 4-methylbenzenesulfonate;phosphane
CID 87524862
methyl 4-methylbenzenesulfonate;zinc
CID 174756808
methyl methanesulfonate;bis(methyl 4-methylbenzenesulfonate)
CID 159322206
(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide
CID 6144298
N-diazo-4-methylbenzenesulfonamide
CID 13661
ethyl 4-methylbenzenesulfonate;methyl 4-methylbenzenesulfonate
CID 159715992
[(3R,4R)-4-(4-methylphenyl)sulfonyloxyoxolan-3-yl] 4-methylbenzenesulfonate
CID 13407996
deuteriomethyl 4-methylbenzenesulfonate
CID 129134824
2,3-dihydro-1-benzofuran;methyl 4-methylbenzenesulfonate
CID 87756103
amino 4-methylbenzenesulfonate
CID 10965249
ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
CID 173100984

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide (CID 12930637) is N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide is COP1(=NS(=O)(=O)c2ccc(C)cc2)OCCO1.
What is the InChIKey of N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is BIOHLLYCEJQCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO5PS/c1-9-3-5-10(6-4-9)18(12,13)11-17(14-2)15-7-8-16-17/h3-6H,7-8H2,1-2H3.
What are the key properties of N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide?
N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 291.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 12930637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).