N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide

C13H9ClN2O3S — CID 110728981

IUPACN-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ncoc2c1)c1ccccc1Cl
InChIInChI=1S/C13H9ClN2O3S/c14-10-3-1-2-4-13(10)20(17,18)16-9-5-6-11-12(7-9)19-8-15-11/h1-8,16H
InChIKeyDMNOQPZVLMLEFD-UHFFFAOYSA-N
MW308.75 g/mol
LogP3.28
Rot. Bonds3

About N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide

N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide (PubChem CID 110728981) has the molecular formula C13H9ClN2O3S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide
PubChem CID110728981
Molecular FormulaC13H9ClN2O3S
Molecular Weight308.75 g/mol
Exact Mass308.00
IUPAC NameN-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ncoc2c1)c1ccccc1Cl
InChIInChI=1S/C13H9ClN2O3S/c14-10-3-1-2-4-13(10)20(17,18)16-9-5-6-11-12(7-9)19-8-15-11/h1-8,16H
InChIKeyDMNOQPZVLMLEFD-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

2-chloro-N-quinolin-6-ylbenzenesulfonamide
CID 25040814
N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110728948
N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 110728969
2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 8841662
2-chloro-N-(2-methylsulfonyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50839912
N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide
CID 110728785
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796598
2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 70953981
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110728971

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide (CID 110728981) is N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide is O=S(=O)(Nc1ccc2ncoc2c1)c1ccccc1Cl.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide?
The InChIKey is DMNOQPZVLMLEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S/c14-10-3-1-2-4-13(10)20(17,18)16-9-5-6-11-12(7-9)19-8-15-11/h1-8,16H.
What are the key properties of N-(1,3-benzoxazol-6-yl)-2-chlorobenzenesulfonamide?
N-(1,3-benzoxazol-6-yl)-2-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-6-yl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 110728981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).