4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide

C17H18N2O4S2 — CID 100536303

IUPAC4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1C
InChIInChI=1S/C17H18N2O4S2/c1-10-8-16(11(2)7-14(10)23-4)25(21,22)18-12-5-6-13-15(9-12)24-17(20)19(13)3/h5-9,18H,1-4H3
InChIKeyBFISNUXXRDXPSC-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.03
Rot. Bonds4

About 4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide

4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide (PubChem CID 100536303) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide
PubChem CID100536303
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1C
InChIInChI=1S/C17H18N2O4S2/c1-10-8-16(11(2)7-14(10)23-4)25(21,22)18-12-5-6-13-15(9-12)24-17(20)19(13)3/h5-9,18H,1-4H3
InChIKeyBFISNUXXRDXPSC-UHFFFAOYSA-N
XLogP3.03
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100548336
4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide
CID 100560748
2-(4-methoxy-3-methylphenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100535827
2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide
CID 100531007
4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724977
2,5-dimethoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50800156
6-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1,3-benzothiazol-2-one
CID 22433828
N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53074945
5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide
CID 50800114
4-methoxy-2,5-dimethyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636186
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110601952
N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146076584

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide (CID 100536303) is 4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide?
The InChIKey is BFISNUXXRDXPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-10-8-16(11(2)7-14(10)23-4)25(21,22)18-12-5-6-13-15(9-12)24-17(20)19(13)3/h5-9,18H,1-4H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide has a molecular weight of 378.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 100536303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).