4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide

C15H22N3O4PS — CID 134087504

IUPAC4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCP(=O)(CC)Nc1ccc(S(=O)(=O)Nc2noc(C)c2C)cc1
InChIInChI=1S/C15H22N3O4PS/c1-5-23(19,6-2)17-13-7-9-14(10-8-13)24(20,21)18-15-11(3)12(4)22-16-15/h7-10H,5-6H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyOPHRPLVMHWNDHU-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.82
Rot. Bonds7

About 4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide

4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 134087504) has the molecular formula C15H22N3O4PS and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID134087504
Molecular FormulaC15H22N3O4PS
Molecular Weight371.40 g/mol
Exact Mass371.11
IUPAC Name4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCP(=O)(CC)Nc1ccc(S(=O)(=O)Nc2noc(C)c2C)cc1
InChIInChI=1S/C15H22N3O4PS/c1-5-23(19,6-2)17-13-7-9-14(10-8-13)24(20,21)18-15-11(3)12(4)22-16-15/h7-10H,5-6H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyOPHRPLVMHWNDHU-UHFFFAOYSA-N
XLogP3.82
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylphosphorylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 134087514
4-(diethylphosphorylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 134111248
4-N-(1-cyanopropan-2-yl)-1-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzene-1,4-disulfonamide
CID 126835571
N-[3-[[4-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-4-hydroxyphenyl]acetamide
CID 177378575
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2225142
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylbutanamide
CID 3456725
N-(4-ethylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42021822
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977

Frequently Asked Questions

What is the IUPAC name of 4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 134087504) is 4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide is CCP(=O)(CC)Nc1ccc(S(=O)(=O)Nc2noc(C)c2C)cc1.
What is the InChIKey of 4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is OPHRPLVMHWNDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N3O4PS/c1-5-23(19,6-2)17-13-7-9-14(10-8-13)24(20,21)18-15-11(3)12(4)22-16-15/h7-10H,5-6H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 371.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylphosphorylamino)-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 134087504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).