N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide

C15H14N2O6S2 — CID 53276867

IUPACN-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)CN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C15H14N2O6S2/c1-23-13-8-4-3-7-12(13)16-24(19,20)10-17-15(18)11-6-2-5-9-14(11)25(17,21)22/h2-9,16H,10H2,1H3
InChIKeyORERQLBVSHRNGL-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.24
Rot. Bonds5

About N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide

N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide (PubChem CID 53276867) has the molecular formula C15H14N2O6S2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide
PubChem CID53276867
Molecular FormulaC15H14N2O6S2
Molecular Weight382.42 g/mol
Exact Mass382.03
IUPAC NameN-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)CN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C15H14N2O6S2/c1-23-13-8-4-3-7-12(13)16-24(19,20)10-17-15(18)11-6-2-5-9-14(11)25(17,21)22/h2-9,16H,10H2,1H3
InChIKeyORERQLBVSHRNGL-UHFFFAOYSA-N
XLogP1.24
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-fluoro-2-methoxyphenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 8708928
2-(aminomethyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 54531950
3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
CID 43653977
2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethanesulfonyl chloride
CID 131472183
2-[2-(ethylamino)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 60672790
2-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 59144993
2-[3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 14497329
1,1-dioxo-2-(2-trimethylsilylethyl)-1,2-benzothiazol-3-one
CID 54112946
2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzenethiolate
CID 135787655
2-(2,2-diethoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 63630263
2-[4-[3-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 19828519
2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3-methoxynaphthalene-2-carboxylate
CID 8663627

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide (CID 53276867) is N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide is COc1ccccc1NS(=O)(=O)CN1C(=O)c2ccccc2S1(=O)=O.
What is the InChIKey of N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide?
The InChIKey is ORERQLBVSHRNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6S2/c1-23-13-8-4-3-7-12(13)16-24(19,20)10-17-15(18)11-6-2-5-9-14(11)25(17,21)22/h2-9,16H,10H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide?
N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide has a molecular weight of 382.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 53276867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).