2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide

C16H13FN2O3S2 — CID 18573234

IUPAC2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2cc(F)ccc21
InChIInChI=1S/C16H13FN2O3S2/c1-19-13-8-7-11(17)9-14(13)23-16(19)18-15(20)10-24(21,22)12-5-3-2-4-6-12/h2-9H,10H2,1H3/b18-16-
InChIKeyUQOZJEJXLHIBQC-VLGSPTGOSA-N
MW364.42 g/mol
LogP2.28
Rot. Bonds3

About 2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide

2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 18573234) has the molecular formula C16H13FN2O3S2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID18573234
Molecular FormulaC16H13FN2O3S2
Molecular Weight364.42 g/mol
Exact Mass364.04
IUPAC Name2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2cc(F)ccc21
InChIInChI=1S/C16H13FN2O3S2/c1-19-13-8-7-11(17)9-14(13)23-16(19)18-15(20)10-24(21,22)12-5-3-2-4-6-12/h2-9H,10H2,1H3/b18-16-
InChIKeyUQOZJEJXLHIBQC-VLGSPTGOSA-N
XLogP2.28
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-N-(4-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)pivalamide
CID 2151125
(Z)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)acetamide
CID 3238397
S-[2-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
CID 3245907
(E)-N-(3-methyl-6-nitrobenzo[d]thiazol-2(3H)-ylidene)-2-(phenylsulfonyl)acetamide
CID 18573223
(E)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-(phenylsulfonyl)acetamide
CID 18573226
3-(benzenesulfonyl)-N-[(2E)-3-(2-methoxyethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]propanamide
CID 24892236
N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 656374
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 2151118
S-[2-[(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
CID 3490356
(Z)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)pentanamide
CID 3241787
2-(benzenesulfonyl)-N-[(2Z)-6-methanesulfonyl-3-propyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide
CID 16799806
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 2151113

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 18573234) is 2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide is Cn1/c(=N/C(=O)CS(=O)(=O)c2ccccc2)sc2cc(F)ccc21.
What is the InChIKey of 2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is UQOZJEJXLHIBQC-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H13FN2O3S2/c1-19-13-8-7-11(17)9-14(13)23-16(19)18-15(20)10-24(21,22)12-5-3-2-4-6-12/h2-9H,10H2,1H3/b18-16-.
What are the key properties of 2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 364.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 18573234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).