2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide

C17H14N4O5S2 — CID 55896537

IUPAC2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide
SMILESNS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C17H14N4O5S2/c18-28(25,26)21-11-4-1-3-10(9-11)20-27(23,24)15-8-7-14-16-12(15)5-2-6-13(16)17(22)19-14/h1-9,20-21H,(H,19,22)(H2,18,25,26)
InChIKeyLTTWIZXLGAYQNK-UHFFFAOYSA-N
MW418.46 g/mol
LogP1.82
Rot. Bonds5

About 2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide

2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 55896537) has the molecular formula C17H14N4O5S2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide
PubChem CID55896537
Molecular FormulaC17H14N4O5S2
Molecular Weight418.46 g/mol
Exact Mass418.04
IUPAC Name2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide
SMILESNS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C17H14N4O5S2/c18-28(25,26)21-11-4-1-3-10(9-11)20-27(23,24)15-8-7-14-16-12(15)5-2-6-13(16)17(22)19-14/h1-9,20-21H,(H,19,22)(H2,18,25,26)
InChIKeyLTTWIZXLGAYQNK-UHFFFAOYSA-N
XLogP1.82
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 15942931
2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 52698680
2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55662957
2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55895579
2-oxo-N-(3-pyrazin-2-yloxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 55896214
N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 5189210
N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 134025383
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 166228985
N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55662988
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-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 166179424

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of 2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide (CID 55896537) is 2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide is NS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1.
What is the InChIKey of 2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is LTTWIZXLGAYQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5S2/c18-28(25,26)21-11-4-1-3-10(9-11)20-27(23,24)15-8-7-14-16-12(15)5-2-6-13(16)17(22)19-14/h1-9,20-21H,(H,19,22)(H2,18,25,26).
What are the key properties of 2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide?
2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 418.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 55896537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).