N-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide

C18H17ClN2O4S — CID 53054236

IUPACN-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O4S/c1-11-18(12(2)25-20-11)13-8-9-16(24-3)17(10-13)26(22,23)21-15-7-5-4-6-14(15)19/h4-10,21H,1-3H3
InChIKeyQQHAEBNIGSWFDN-UHFFFAOYSA-N
MW392.86 g/mol
LogP4.42
Rot. Bonds5

About N-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide

N-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide (PubChem CID 53054236) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
PubChem CID53054236
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC NameN-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O4S/c1-11-18(12(2)25-20-11)13-8-9-16(24-3)17(10-13)26(22,23)21-15-7-5-4-6-14(15)19/h4-10,21H,1-3H3
InChIKeyQQHAEBNIGSWFDN-UHFFFAOYSA-N
XLogP4.42
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide (CID 53054236) is N-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide is COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide?
The InChIKey is QQHAEBNIGSWFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-11-18(12(2)25-20-11)13-8-9-16(24-3)17(10-13)26(22,23)21-15-7-5-4-6-14(15)19/h4-10,21H,1-3H3.
What are the key properties of N-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide?
N-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide has a molecular weight of 392.86 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 53054236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).