2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide

C18H12FN3O4S — CID 55895579

IUPAC2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
SMILESNC(=O)c1cc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)ccc1F
InChIInChI=1S/C18H12FN3O4S/c19-13-5-4-9(8-12(13)17(20)23)22-27(25,26)15-7-6-14-16-10(15)2-1-3-11(16)18(24)21-14/h1-8,22H,(H2,20,23)(H,21,24)
InChIKeyGIINNOPUXFSHLV-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.44
Rot. Bonds4

About 2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide

2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide (PubChem CID 55895579) has the molecular formula C18H12FN3O4S and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
PubChem CID55895579
Molecular FormulaC18H12FN3O4S
Molecular Weight385.38 g/mol
Exact Mass385.05
IUPAC Name2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
SMILESNC(=O)c1cc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)ccc1F
InChIInChI=1S/C18H12FN3O4S/c19-13-5-4-9(8-12(13)17(20)23)22-27(25,26)15-7-6-14-16-10(15)2-1-3-11(16)18(24)21-14/h1-8,22H,(H2,20,23)(H,21,24)
InChIKeyGIINNOPUXFSHLV-UHFFFAOYSA-N
XLogP2.44
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55896537
N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 15942931
2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55662957
2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 52698680
N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 5189210
3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid
CID 52874674
3,5-dimethyl-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzoic acid
CID 52861291
N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55662988
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 166228985
2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 55896214
N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 134025383
2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid
CID 164623522

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide?
The IUPAC name of 2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide (CID 55895579) is 2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide.
What is the SMILES notation for 2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide?
The canonical SMILES for 2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide is NC(=O)c1cc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)ccc1F.
What is the InChIKey of 2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide?
The InChIKey is GIINNOPUXFSHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O4S/c19-13-5-4-9(8-12(13)17(20)23)22-27(25,26)15-7-6-14-16-10(15)2-1-3-11(16)18(24)21-14/h1-8,22H,(H2,20,23)(H,21,24).
What are the key properties of 2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide?
2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide has a molecular weight of 385.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide is sourced from PubChem (CID 55895579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).