N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide

C19H17ClN2O3S — CID 164619007

IUPACN-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(Cl)cc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1
InChIInChI=1S/C19H17ClN2O3S/c1-12-8-15(20)10-16(9-12)22-26(23,24)17-6-4-13(5-7-17)18-11-21-19(25-18)14-2-3-14/h4-11,14,22H,2-3H2,1H3
InChIKeyXKSQFGAPTUGBHG-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.98
Rot. Bonds5

About N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide

N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 164619007) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID164619007
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(Cl)cc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1
InChIInChI=1S/C19H17ClN2O3S/c1-12-8-15(20)10-16(9-12)22-26(23,24)17-6-4-13(5-7-17)18-11-21-19(25-18)14-2-3-14/h4-11,14,22H,2-3H2,1H3
InChIKeyXKSQFGAPTUGBHG-UHFFFAOYSA-N
XLogP4.98
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 164619007) is N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is Cc1cc(Cl)cc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1.
What is the InChIKey of N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is XKSQFGAPTUGBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-12-8-15(20)10-16(9-12)22-26(23,24)17-6-4-13(5-7-17)18-11-21-19(25-18)14-2-3-14/h4-11,14,22H,2-3H2,1H3.
What are the key properties of N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 164619007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).