N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide

C13H9ClN2O3S — CID 110728785

IUPACN-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ocnc2c1)c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2O3S/c14-9-2-1-3-11(6-9)20(17,18)16-10-4-5-13-12(7-10)15-8-19-13/h1-8,16H
InChIKeyIWBORTRGNNQCNR-UHFFFAOYSA-N
MW308.75 g/mol
LogP3.28
Rot. Bonds3

About N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide

N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide (PubChem CID 110728785) has the molecular formula C13H9ClN2O3S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide
PubChem CID110728785
Molecular FormulaC13H9ClN2O3S
Molecular Weight308.75 g/mol
Exact Mass308.00
IUPAC NameN-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ocnc2c1)c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2O3S/c14-9-2-1-3-11(6-9)20(17,18)16-10-4-5-13-12(7-10)15-8-19-13/h1-8,16H
InChIKeyIWBORTRGNNQCNR-UHFFFAOYSA-N
XLogP3.28
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728739
N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide
CID 110728768
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
CID 64788491
N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
CID 65430879
N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide
CID 110728981
3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094344
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 71013468
N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759720
3-chloro-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide
CID 110734813
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide (CID 110728785) is N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide is O=S(=O)(Nc1ccc2ocnc2c1)c1cccc(Cl)c1.
What is the InChIKey of N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide?
The InChIKey is IWBORTRGNNQCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S/c14-9-2-1-3-11(6-9)20(17,18)16-10-4-5-13-12(7-10)15-8-19-13/h1-8,16H.
What are the key properties of N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide?
N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide has a molecular weight of 308.75 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 110728785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).