N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide

C22H24Cl2N2O4S — CID 71543569

IUPACN-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1noc(C)c1COc1ccc(S(=O)(=O)N(CC(C)C)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C22H24Cl2N2O4S/c1-14(2)12-26(22-11-17(23)5-10-21(22)24)31(27,28)19-8-6-18(7-9-19)29-13-20-15(3)25-30-16(20)4/h5-11,14H,12-13H2,1-4H3
InChIKeyYRLAZYZXBCJNRH-UHFFFAOYSA-N
MW483.42 g/mol
LogP6.03
Rot. Bonds8

About N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide

N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 71543569) has the molecular formula C22H24Cl2N2O4S and a molecular weight of 483.42 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID71543569
Molecular FormulaC22H24Cl2N2O4S
Molecular Weight483.42 g/mol
Exact Mass482.08
IUPAC NameN-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1noc(C)c1COc1ccc(S(=O)(=O)N(CC(C)C)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C22H24Cl2N2O4S/c1-14(2)12-26(22-11-17(23)5-10-21(22)24)31(27,28)19-8-6-18(7-9-19)29-13-20-15(3)25-30-16(20)4/h5-11,14H,12-13H2,1-4H3
InChIKeyYRLAZYZXBCJNRH-UHFFFAOYSA-N
XLogP6.03
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.42
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 71543501
N-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide
CID 71543525
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 89484262
N-(2,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26115421
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771438
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chlorobenzoate
CID 2539610
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
CID 78790279
N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 60657484
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 71493658
N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-4-methylbenzenesulfonamide chloride
CID 44654829
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 18079652
N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55509545

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide (CID 71543569) is N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide is Cc1noc(C)c1COc1ccc(S(=O)(=O)N(CC(C)C)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is YRLAZYZXBCJNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O4S/c1-14(2)12-26(22-11-17(23)5-10-21(22)24)31(27,28)19-8-6-18(7-9-19)29-13-20-15(3)25-30-16(20)4/h5-11,14H,12-13H2,1-4H3.
What are the key properties of N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide?
N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 483.42 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 71543569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).