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

C18H15ClN2O3S — CID 20959107

IUPACN-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C18H15ClN2O3S/c19-15-3-1-2-4-16(15)21-25(22,23)14-9-7-12(8-10-14)17-11-20-18(24-17)13-5-6-13/h1-4,7-11,13,21H,5-6H2
InChIKeyAKOQDSGBHRRYHL-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.67
Rot. Bonds5

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

N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 20959107) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID20959107
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC NameN-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C18H15ClN2O3S/c19-15-3-1-2-4-16(15)21-25(22,23)14-9-7-12(8-10-14)17-11-20-18(24-17)13-5-6-13/h1-4,7-11,13,21H,5-6H2
InChIKeyAKOQDSGBHRRYHL-UHFFFAOYSA-N
XLogP4.67
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide
CID 164624850
4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride
CID 56723881
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 20959096
4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 66609987
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 162394822
4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 66610105
5-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-benzoxazepine
CID 134153414
4-[5-[4-(2-chlorobenzoyl)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 141330817
2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole
CID 20959069
1-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
CID 134143621
N-(2-chlorophenyl)-4-iodobenzenesulfonamide
CID 47154415
methyl 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylate
CID 66610382

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 20959107) is N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccccc1Cl)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is AKOQDSGBHRRYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c19-15-3-1-2-4-16(15)21-25(22,23)14-9-7-12(8-10-14)17-11-20-18(24-17)13-5-6-13/h1-4,7-11,13,21H,5-6H2.
What are the key properties of N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 374.85 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20959107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).