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

C16H15FN2O4S2 — CID 70112279

IUPAC2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCOc1cccc(F)c1S(=O)(=O)N(C)c1ccc2sc(=O)n(C)c2c1
InChIInChI=1S/C16H15FN2O4S2/c1-18-12-9-10(7-8-14(12)24-16(18)20)19(2)25(21,22)15-11(17)5-4-6-13(15)23-3/h4-9H,1-3H3
InChIKeySJZNDIWZVVUHMY-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.57
Rot. Bonds4

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

2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide (PubChem CID 70112279) has the molecular formula C16H15FN2O4S2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide
PubChem CID70112279
Molecular FormulaC16H15FN2O4S2
Molecular Weight382.44 g/mol
Exact Mass382.05
IUPAC Name2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCOc1cccc(F)c1S(=O)(=O)N(C)c1ccc2sc(=O)n(C)c2c1
InChIInChI=1S/C16H15FN2O4S2/c1-18-12-9-10(7-8-14(12)24-16(18)20)19(2)25(21,22)15-11(17)5-4-6-13(15)23-3/h4-9H,1-3H3
InChIKeySJZNDIWZVVUHMY-UHFFFAOYSA-N
XLogP2.57
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzothiazole-6-sulfonamide
CID 4230119
4-Methoxy-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-YL)benzene-1-sulfonamide
CID 50800192
3-[(2-Fluorophenoxy)methyl]-1,3-benzothiazol-2-one
CID 13591674
3-[(3-Fluorophenoxy)methyl]-1,3-benzothiazol-2-one
CID 13591677
(NZ)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937380
(NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937394
(NZ)-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937492
(Z)-N-(6-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-methoxybenzenesulfonamide
CID 40891770
(Z)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)-4-methoxybenzenesulfonamide
CID 40891783
(Z)-N-(3-allyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)-4-methoxybenzenesulfonamide
CID 40891880
3-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,3-benzothiazole-6-sulfonamide
CID 100500041
3-ethyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,3-benzothiazole-6-sulfonamide
CID 100500053

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide (CID 70112279) is 2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide is COc1cccc(F)c1S(=O)(=O)N(C)c1ccc2sc(=O)n(C)c2c1.
What is the InChIKey of 2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide?
The InChIKey is SJZNDIWZVVUHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S2/c1-18-12-9-10(7-8-14(12)24-16(18)20)19(2)25(21,22)15-11(17)5-4-6-13(15)23-3/h4-9H,1-3H3.
What are the key properties of 2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide?
2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide has a molecular weight of 382.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 70112279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).