3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide

C14H17ClN2O4S — CID 126823450

IUPAC3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide
SMILESCc1noc(C)c1CC(C)NS(=O)(=O)c1cccc(Cl)c1O
InChIInChI=1S/C14H17ClN2O4S/c1-8(7-11-9(2)16-21-10(11)3)17-22(19,20)13-6-4-5-12(15)14(13)18/h4-6,8,17-18H,7H2,1-3H3
InChIKeyUKYZWHSGYSANLF-UHFFFAOYSA-N
MW344.82 g/mol
LogP2.56
Rot. Bonds5

About 3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide

3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide (PubChem CID 126823450) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide
PubChem CID126823450
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide
SMILESCc1noc(C)c1CC(C)NS(=O)(=O)c1cccc(Cl)c1O
InChIInChI=1S/C14H17ClN2O4S/c1-8(7-11-9(2)16-21-10(11)3)17-22(19,20)13-6-4-5-12(15)14(13)18/h4-6,8,17-18H,7H2,1-3H3
InChIKeyUKYZWHSGYSANLF-UHFFFAOYSA-N
XLogP2.56
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,3-thiazole-2-sulfonamide
CID 126800198
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylsulfamoyl]-1-benzothiophene-2-carboxylic acid
CID 146092772
2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide
CID 71860642
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide
CID 81245889
(2,6-dichlorophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
CID 8614385
2,6-dichloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 71865203
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol
CID 47559752
3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361690
3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide
CID 166396288
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700
1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide
CID 126823133

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide (CID 126823450) is 3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide is Cc1noc(C)c1CC(C)NS(=O)(=O)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide?
The InChIKey is UKYZWHSGYSANLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-8(7-11-9(2)16-21-10(11)3)17-22(19,20)13-6-4-5-12(15)14(13)18/h4-6,8,17-18H,7H2,1-3H3.
What are the key properties of 3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide?
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide has a molecular weight of 344.82 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 126823450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).