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

C19H17ClN2O3S — CID 20959052

IUPACN-(4-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-12-10-15(20)6-9-17(12)22-26(23,24)16-7-4-13(5-8-16)18-11-21-19(25-18)14-2-3-14/h4-11,14,22H,2-3H2,1H3
InChIKeyPESPXXJBJDWVAL-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.98
Rot. Bonds5

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

N-(4-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 20959052) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID20959052
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN-(4-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-12-10-15(20)6-9-17(12)22-26(23,24)16-7-4-13(5-8-16)18-11-21-19(25-18)14-2-3-14/h4-11,14,22H,2-3H2,1H3
InChIKeyPESPXXJBJDWVAL-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-(4-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 20959052) is N-(4-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is PESPXXJBJDWVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-12-10-15(20)6-9-17(12)22-26(23,24)16-7-4-13(5-8-16)18-11-21-19(25-18)14-2-3-14/h4-11,14,22H,2-3H2,1H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-(4-chloro-2-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-(4-chloro-2-methylphenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20959052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).