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

C15H13ClN2O3S — CID 59018206

IUPAC3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc2o1
InChIInChI=1S/C15H13ClN2O3S/c1-9-12(16)4-3-5-15(9)22(19,20)18-11-6-7-14-13(8-11)17-10(2)21-14/h3-8,18H,1-2H3
InChIKeyPBHYGLNHQIAXAA-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.90
Rot. Bonds3

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

3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide (PubChem CID 59018206) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
PubChem CID59018206
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc2o1
InChIInChI=1S/C15H13ClN2O3S/c1-9-12(16)4-3-5-15(9)22(19,20)18-11-6-7-14-13(8-11)17-10(2)21-14/h3-8,18H,1-2H3
InChIKeyPBHYGLNHQIAXAA-UHFFFAOYSA-N
XLogP3.90
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 69227449
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 6918870
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
3-chloro-N-[2-(diethylamino)benzotriazol-5-yl]-2-methylbenzenesulfonamide
CID 142674275
3-chloro-2-methyl-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 59018209
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 54937098
3-chloro-N-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)-2-methylbenzenesulfonamide
CID 58885277

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide (CID 59018206) is 3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide is Cc1nc2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc2o1.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
The InChIKey is PBHYGLNHQIAXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-9-12(16)4-3-5-15(9)22(19,20)18-11-6-7-14-13(8-11)17-10(2)21-14/h3-8,18H,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide?
3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide has a molecular weight of 336.80 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 59018206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).