4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide

C24H20FN3O3S2 — CID 4071909

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)sc2cc(F)ccc21
InChIInChI=1S/C24H20FN3O3S2/c1-2-27-21-12-9-18(25)15-22(21)32-24(27)26-23(29)17-7-10-19(11-8-17)33(30,31)28-14-13-16-5-3-4-6-20(16)28/h3-12,15H,2,13-14H2,1H3/b26-24-
InChIKeyDPTHUMIGGUBCCN-LCUIJRPUSA-N
MW481.57 g/mol
LogP4.35
Rot. Bonds4

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 4071909) has the molecular formula C24H20FN3O3S2 and a molecular weight of 481.57 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID4071909
Molecular FormulaC24H20FN3O3S2
Molecular Weight481.57 g/mol
Exact Mass481.09
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)sc2cc(F)ccc21
InChIInChI=1S/C24H20FN3O3S2/c1-2-27-21-12-9-18(25)15-22(21)32-24(27)26-23(29)17-7-10-19(11-8-17)33(30,31)28-14-13-16-5-3-4-6-20(16)28/h3-12,15H,2,13-14H2,1H3/b26-24-
InChIKeyDPTHUMIGGUBCCN-LCUIJRPUSA-N
XLogP4.35
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-fluoro-1,3-benzothiazol-2-ylidene]benzamide
CID 4170024
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
CID 42388295
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4564783
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41048133
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
CID 3363839
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3453290
methyl 2-[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 4558993
ethyl 2-[6-chloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 3583432
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 2152690
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 42126697
N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 3506669
methyl 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate
CID 3633216

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide (CID 4071909) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide is CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)sc2cc(F)ccc21.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is DPTHUMIGGUBCCN-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H20FN3O3S2/c1-2-27-21-12-9-18(25)15-22(21)32-24(27)26-23(29)17-7-10-19(11-8-17)33(30,31)28-14-13-16-5-3-4-6-20(16)28/h3-12,15H,2,13-14H2,1H3/b26-24-.
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 481.57 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 4071909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).