N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide

C20H21ClN2O5S — CID 20935555

IUPACN-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCOc1cc(Cl)c(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c(OC)c1
InChIInChI=1S/C20H21ClN2O5S/c1-11-6-7-14(20-12(2)13(3)22-28-20)8-18(11)29(24,25)23-19-16(21)9-15(26-4)10-17(19)27-5/h6-10,23H,1-5H3
InChIKeyRXQFPDAFGJOUPB-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.74
Rot. Bonds6

About N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide

N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 20935555) has the molecular formula C20H21ClN2O5S and a molecular weight of 436.92 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID20935555
Molecular FormulaC20H21ClN2O5S
Molecular Weight436.92 g/mol
Exact Mass436.09
IUPAC NameN-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCOc1cc(Cl)c(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c(OC)c1
InChIInChI=1S/C20H21ClN2O5S/c1-11-6-7-14(20-12(2)13(3)22-28-20)8-18(11)29(24,25)23-19-16(21)9-15(26-4)10-17(19)27-5/h6-10,23H,1-5H3
InChIKeyRXQFPDAFGJOUPB-UHFFFAOYSA-N
XLogP4.74
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide with MolForge

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935532
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 20935455
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935502
N-(2-chloro-4,6-dimethoxyphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094946
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride
CID 53212007
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 20935537
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 20935605
N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935509
N-(2,4-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060057
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20935556
N-(2-chloro-4,6-dimethoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
CID 53117901
N-(5-chloro-2-methoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylphenyl]sulfonylpropanamide
CID 53060127

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide (CID 20935555) is N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide is COc1cc(Cl)c(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c(OC)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is RXQFPDAFGJOUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5S/c1-11-6-7-14(20-12(2)13(3)22-28-20)8-18(11)29(24,25)23-19-16(21)9-15(26-4)10-17(19)27-5/h6-10,23H,1-5H3.
What are the key properties of N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 436.92 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 20935555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).