N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide

C15H23N2O5PS — CID 134877215

IUPACN-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide
SMILESCOP(=O)(OC)/C(=N\NS(=O)(=O)c1ccc(C)cc1)C(C)=C(C)C
InChIInChI=1S/C15H23N2O5PS/c1-11(2)13(4)15(23(18,21-5)22-6)16-17-24(19,20)14-9-7-12(3)8-10-14/h7-10,17H,1-6H3/b16-15-
InChIKeyAOYWQFOBUSFYOS-NXVVXOECSA-N
MW374.40 g/mol
LogP3.43
Rot. Bonds7

About N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide

N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide (PubChem CID 134877215) has the molecular formula C15H23N2O5PS and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide
PubChem CID134877215
Molecular FormulaC15H23N2O5PS
Molecular Weight374.40 g/mol
Exact Mass374.11
IUPAC NameN-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide
SMILESCOP(=O)(OC)/C(=N\NS(=O)(=O)c1ccc(C)cc1)C(C)=C(C)C
InChIInChI=1S/C15H23N2O5PS/c1-11(2)13(4)15(23(18,21-5)22-6)16-17-24(19,20)14-9-7-12(3)8-10-14/h7-10,17H,1-6H3/b16-15-
InChIKeyAOYWQFOBUSFYOS-NXVVXOECSA-N
XLogP3.43
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 136734384
dimethyl 2-[(4-methylphenyl)sulfonylhydrazinylidene]butanedioate
CID 2798179
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 6173114
4-methyl-N-[(E)-1,1,1-trichloropropan-2-ylideneamino]benzenesulfonamide
CID 134897096
N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
CID 57088982
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
CID 6390629
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073564
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide (CID 134877215) is N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide is COP(=O)(OC)/C(=N\NS(=O)(=O)c1ccc(C)cc1)C(C)=C(C)C.
What is the InChIKey of N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide?
The InChIKey is AOYWQFOBUSFYOS-NXVVXOECSA-N. The full InChI is InChI=1S/C15H23N2O5PS/c1-11(2)13(4)15(23(18,21-5)22-6)16-17-24(19,20)14-9-7-12(3)8-10-14/h7-10,17H,1-6H3/b16-15-.
What are the key properties of N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide?
N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide has a molecular weight of 374.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134877215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).