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

C17H15FN2O3S2 — CID 7153848

IUPAC3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCn1/c(=N/C(=O)CCS(=O)(=O)c2ccccc2)sc2cc(F)ccc21
InChIInChI=1S/C17H15FN2O3S2/c1-20-14-8-7-12(18)11-15(14)24-17(20)19-16(21)9-10-25(22,23)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/b19-17-
InChIKeyXDBYVEISTJXBQN-ZPHPHTNESA-N
MW378.45 g/mol
LogP2.67
Rot. Bonds4

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

3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 7153848) has the molecular formula C17H15FN2O3S2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID7153848
Molecular FormulaC17H15FN2O3S2
Molecular Weight378.45 g/mol
Exact Mass378.05
IUPAC Name3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCn1/c(=N/C(=O)CCS(=O)(=O)c2ccccc2)sc2cc(F)ccc21
InChIInChI=1S/C17H15FN2O3S2/c1-20-14-8-7-12(18)11-15(14)24-17(20)19-16(21)9-10-25(22,23)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/b19-17-
InChIKeyXDBYVEISTJXBQN-ZPHPHTNESA-N
XLogP2.67
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(E)-N-(6-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-(phenylsulfonyl)acetamide
CID 18573234
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

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide (CID 7153848) is 3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide is Cn1/c(=N/C(=O)CCS(=O)(=O)c2ccccc2)sc2cc(F)ccc21.
What is the InChIKey of 3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is XDBYVEISTJXBQN-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15FN2O3S2/c1-20-14-8-7-12(18)11-15(14)24-17(20)19-16(21)9-10-25(22,23)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/b19-17-.
What are the key properties of 3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 378.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide is sourced from PubChem (CID 7153848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).