N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide

C19H20FN3O3S2 — CID 164944836

IUPACN-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide
SMILESCS(=O)(=O)NC1CCCC(C(=O)Nc2nc3ccc4cc(F)ccc4c3s2)C1
InChIInChI=1S/C19H20FN3O3S2/c1-28(25,26)23-14-4-2-3-12(10-14)18(24)22-19-21-16-8-5-11-9-13(20)6-7-15(11)17(16)27-19/h5-9,12,14,23H,2-4,10H2,1H3,(H,21,22,24)
InChIKeyLLIVYPFMKDGXPF-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.64
Rot. Bonds4

About N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide

N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide (PubChem CID 164944836) has the molecular formula C19H20FN3O3S2 and a molecular weight of 421.52 g/mol. Its IUPAC name is N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide
PubChem CID164944836
Molecular FormulaC19H20FN3O3S2
Molecular Weight421.52 g/mol
Exact Mass421.09
IUPAC NameN-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide
SMILESCS(=O)(=O)NC1CCCC(C(=O)Nc2nc3ccc4cc(F)ccc4c3s2)C1
InChIInChI=1S/C19H20FN3O3S2/c1-28(25,26)23-14-4-2-3-12(10-14)18(24)22-19-21-16-8-5-11-9-13(20)6-7-15(11)17(16)27-19/h5-9,12,14,23H,2-4,10H2,1H3,(H,21,22,24)
InChIKeyLLIVYPFMKDGXPF-UHFFFAOYSA-N
XLogP3.64
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,3R)-3-ethyl-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)cyclopentane-1-carboxamide
CID 167636236
(3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 167673076
pentakis(N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide);N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 167619594
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
trans-(1R,3R)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51956693
(2R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-2-(5-oxo-2-sulfanylpyrrolidin-2-yl)propanamide;molecular hydrogen
CID 156743736
cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone
CID 156743741
N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828886
cis-(1R,3S)-N-(7-fluoro-3-oxo-2H-benzo[g][1,3]benzothiazol-3-ium-2-yl)-3-(prop-2-enoylamino)cyclohexane-1-carboxamide
CID 156743734
N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide
CID 113093375
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63042489
1-(benzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16828884

Frequently Asked Questions

What is the IUPAC name of N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide?
The IUPAC name of N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide (CID 164944836) is N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide?
The canonical SMILES for N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide is CS(=O)(=O)NC1CCCC(C(=O)Nc2nc3ccc4cc(F)ccc4c3s2)C1.
What is the InChIKey of N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide?
The InChIKey is LLIVYPFMKDGXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S2/c1-28(25,26)23-14-4-2-3-12(10-14)18(24)22-19-21-16-8-5-11-9-13(20)6-7-15(11)17(16)27-19/h5-9,12,14,23H,2-4,10H2,1H3,(H,21,22,24).
What are the key properties of N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide?
N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide is sourced from PubChem (CID 164944836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).