N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C14H17ClN2O4S — CID 109402464

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O4S/c1-9-14(10(2)21-16-9)22(19,20)17(3)8-13(18)11-6-4-5-7-12(11)15/h4-7,13,18H,8H2,1-3H3
InChIKeyCFUSFUWWEHZWCT-UHFFFAOYSA-N
MW344.82 g/mol
LogP2.30
Rot. Bonds5

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

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 109402464) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID109402464
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O4S/c1-9-14(10(2)21-16-9)22(19,20)17(3)8-13(18)11-6-4-5-7-12(11)15/h4-7,13,18H,8H2,1-3H3
InChIKeyCFUSFUWWEHZWCT-UHFFFAOYSA-N
XLogP2.30
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol
CID 47559752
2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide
CID 110636120
N-(2-cyanopropyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 47204629
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 24678182
N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
CID 24608455
methyl 2-(2-chlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetate
CID 24602989
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
CID 27687531
propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
CID 170621891
N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 126827659
N-(2-aminophenyl)-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43550531
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43019628
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 9117745

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 109402464) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)CC(O)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is CFUSFUWWEHZWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-9-14(10(2)21-16-9)22(19,20)17(3)8-13(18)11-6-4-5-7-12(11)15/h4-7,13,18H,8H2,1-3H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 344.82 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 109402464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).