N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide

C16H20N2O3S — CID 20936500

IUPACN-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)NC3CC3)c2)on1
InChIInChI=1S/C16H20N2O3S/c1-10(2)14-7-4-12(15-8-11(3)17-21-15)9-16(14)22(19,20)18-13-5-6-13/h4,7-10,13,18H,5-6H2,1-3H3
InChIKeyBRBAXJYILFWIRS-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.21
Rot. Bonds5

About N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide

N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide (PubChem CID 20936500) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
PubChem CID20936500
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)NC3CC3)c2)on1
InChIInChI=1S/C16H20N2O3S/c1-10(2)14-7-4-12(15-8-11(3)17-21-15)9-16(14)22(19,20)18-13-5-6-13/h4,7-10,13,18H,5-6H2,1-3H3
InChIKeyBRBAXJYILFWIRS-UHFFFAOYSA-N
XLogP3.21
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methyl-1,2-oxazol-5-yl)-N-(2-methylphenyl)-2-propan-2-ylbenzenesulfonamide
CID 20936493
N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20917435
N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide
CID 46335667
N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 46335665
5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 20936526
5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 20936463
N-(5-chloro-2-pyridinyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936462
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide
CID 20934958
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53009437
N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 46393013
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936533
4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
CID 20939783

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide (CID 20936500) is N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide is Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)NC3CC3)c2)on1.
What is the InChIKey of N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide?
The InChIKey is BRBAXJYILFWIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-10(2)14-7-4-12(15-8-11(3)17-21-15)9-16(14)22(19,20)18-13-5-6-13/h4,7-10,13,18H,5-6H2,1-3H3.
What are the key properties of N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide?
N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 20936500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).