N-propan-2-yl-1,3-benzoxazole-2-sulfonamide

C10H12N2O3S — CID 71633138

IUPACN-propan-2-yl-1,3-benzoxazole-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1nc2ccccc2o1
InChIInChI=1S/C10H12N2O3S/c1-7(2)12-16(13,14)10-11-8-5-3-4-6-9(8)15-10/h3-7,12H,1-2H3
InChIKeyLCVFFQLNZMYGNB-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.51
Rot. Bonds3

About N-propan-2-yl-1,3-benzoxazole-2-sulfonamide

N-propan-2-yl-1,3-benzoxazole-2-sulfonamide (PubChem CID 71633138) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-propan-2-yl-1,3-benzoxazole-2-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-1,3-benzoxazole-2-sulfonamide
PubChem CID71633138
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-propan-2-yl-1,3-benzoxazole-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1nc2ccccc2o1
InChIInChI=1S/C10H12N2O3S/c1-7(2)12-16(13,14)10-11-8-5-3-4-6-9(8)15-10/h3-7,12H,1-2H3
InChIKeyLCVFFQLNZMYGNB-UHFFFAOYSA-N
XLogP1.51
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1,3-benzoxazole-2-sulfonic acid;silver
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N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
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N-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-benzoxazole-2-sulfonamide
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CID 175303024
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2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
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[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,3-benzoxazole-2-sulfonamide?
The IUPAC name of N-propan-2-yl-1,3-benzoxazole-2-sulfonamide (CID 71633138) is N-propan-2-yl-1,3-benzoxazole-2-sulfonamide.
What is the SMILES notation for N-propan-2-yl-1,3-benzoxazole-2-sulfonamide?
The canonical SMILES for N-propan-2-yl-1,3-benzoxazole-2-sulfonamide is CC(C)NS(=O)(=O)c1nc2ccccc2o1.
What is the InChIKey of N-propan-2-yl-1,3-benzoxazole-2-sulfonamide?
The InChIKey is LCVFFQLNZMYGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-7(2)12-16(13,14)10-11-8-5-3-4-6-9(8)15-10/h3-7,12H,1-2H3.
What are the key properties of N-propan-2-yl-1,3-benzoxazole-2-sulfonamide?
N-propan-2-yl-1,3-benzoxazole-2-sulfonamide has a molecular weight of 240.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,3-benzoxazole-2-sulfonamide is sourced from PubChem (CID 71633138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).