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

C19H14N2O4S — CID 15942931

IUPACN-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C19H14N2O4S/c1-11(22)12-4-2-5-13(10-12)21-26(24,25)17-9-8-16-18-14(17)6-3-7-15(18)19(23)20-16/h2-10,21H,1H3,(H,20,23)
InChIKeyOKWZIJQRCDGTHC-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.41
Rot. Bonds4

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

N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 15942931) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID15942931
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC NameN-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C19H14N2O4S/c1-11(22)12-4-2-5-13(10-12)21-26(24,25)17-9-8-16-18-14(17)6-3-7-15(18)19(23)20-16/h2-10,21H,1H3,(H,20,23)
InChIKeyOKWZIJQRCDGTHC-UHFFFAOYSA-N
XLogP3.41
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55896537
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
N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55662988
3,5-dimethyl-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzoic acid
CID 52861291
3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid
CID 52874674
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
N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 5189210
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 166228985
N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 166179424

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 15942931) is N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is OKWZIJQRCDGTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-11(22)12-4-2-5-13(10-12)21-26(24,25)17-9-8-16-18-14(17)6-3-7-15(18)19(23)20-16/h2-10,21H,1H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 366.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 15942931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).