N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide

C16H11ClN2O5S — CID 112503122

IUPACN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H11ClN2O5S/c17-11-3-1-10(2-4-11)13-8-16(24-18-13)19-25(20,21)12-5-6-14-15(7-12)23-9-22-14/h1-8,19H,9H2
InChIKeyIKNLGHIBAVHZLH-UHFFFAOYSA-N
MW378.79 g/mol
LogP3.52
Rot. Bonds4

About N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 112503122) has the molecular formula C16H11ClN2O5S and a molecular weight of 378.79 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide
PubChem CID112503122
Molecular FormulaC16H11ClN2O5S
Molecular Weight378.79 g/mol
Exact Mass378.01
IUPAC NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H11ClN2O5S/c17-11-3-1-10(2-4-11)13-8-16(24-18-13)19-25(20,21)12-5-6-14-15(7-12)23-9-22-14/h1-8,19H,9H2
InChIKeyIKNLGHIBAVHZLH-UHFFFAOYSA-N
XLogP3.52
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide
CID 112503135
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
N-(1,3-benzodioxol-5-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610854
4-(1,3-benzodioxol-5-yl)-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 162219744
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110868216
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzenesulfonamide
CID 825686
N-(2H-benzotriazol-4-yl)-1,3-benzodioxole-5-sulfonamide
CID 110732214
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
CID 112503058
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55683934
N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-sulfonamide
CID 42344569

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide (CID 112503122) is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide is O=S(=O)(Nc1cc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is IKNLGHIBAVHZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O5S/c17-11-3-1-10(2-4-11)13-8-16(24-18-13)19-25(20,21)12-5-6-14-15(7-12)23-9-22-14/h1-8,19H,9H2.
What are the key properties of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide?
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 378.79 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 112503122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).