2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide

C14H10Cl2N2O3S — CID 69227449

IUPAC2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)ccc2o1
InChIInChI=1S/C14H10Cl2N2O3S/c1-8-17-12-7-10(3-4-13(12)21-8)18-22(19,20)14-5-2-9(15)6-11(14)16/h2-7,18H,1H3
InChIKeyRUMRTRHHVOUBHK-UHFFFAOYSA-N
MW357.22 g/mol
LogP4.24
Rot. Bonds3

About 2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide

2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide (PubChem CID 69227449) has the molecular formula C14H10Cl2N2O3S and a molecular weight of 357.22 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
PubChem CID69227449
Molecular FormulaC14H10Cl2N2O3S
Molecular Weight357.22 g/mol
Exact Mass355.98
IUPAC Name2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)ccc2o1
InChIInChI=1S/C14H10Cl2N2O3S/c1-8-17-12-7-10(3-4-13(12)21-8)18-22(19,20)14-5-2-9(15)6-11(14)16/h2-7,18H,1H3
InChIKeyRUMRTRHHVOUBHK-UHFFFAOYSA-N
XLogP4.24
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 59018206
N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760583
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 9240243
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
N-[4-(1,3-benzoxazol-2-ylsulfanyl)-3-chlorophenyl]-2,4-dichlorobenzenesulfonamide
CID 10184649
N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 54937098
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
2,4-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729055
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide
CID 69225495
(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25348758
(2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 24576018

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide (CID 69227449) is 2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide is Cc1nc2cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)ccc2o1.
What is the InChIKey of 2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
The InChIKey is RUMRTRHHVOUBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3S/c1-8-17-12-7-10(3-4-13(12)21-8)18-22(19,20)14-5-2-9(15)6-11(14)16/h2-7,18H,1H3.
What are the key properties of 2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide has a molecular weight of 357.22 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 69227449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).