N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H19ClN2O3S — CID 113090418

IUPACN-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3S/c1-10-14(11(2)21-18-10)22(19,20)17-9-15(3,4)12-5-7-13(16)8-6-12/h5-8,17H,9H2,1-4H3
InChIKeyAVLQXXVYSIAGQK-UHFFFAOYSA-N
MW342.85 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113090418) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113090418
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC NameN-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3S/c1-10-14(11(2)21-18-10)22(19,20)17-9-15(3,4)12-5-7-13(16)8-6-12/h5-8,17H,9H2,1-4H3
InChIKeyAVLQXXVYSIAGQK-UHFFFAOYSA-N
XLogP3.20
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 86870479
N-(2,2-diphenylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 26545265
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436894
N-[2-(4-bromophenyl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110291682
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 97065958
N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 12873201
N-[(3-chloro-2,6-difluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3829002
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 71810666
3,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,2-oxazole-4-sulfonamide
CID 95376531
N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 26942614

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113090418) is N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is AVLQXXVYSIAGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-10-14(11(2)21-18-10)22(19,20)17-9-15(3,4)12-5-7-13(16)8-6-12/h5-8,17H,9H2,1-4H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 342.85 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113090418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).