N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C19H16N4O6S — CID 55662991

IUPACN-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3NCCO)c3cccc1c23
InChIInChI=1S/C19H16N4O6S/c24-9-8-20-14-5-4-11(23(26)27)10-16(14)22-30(28,29)17-7-6-15-18-12(17)2-1-3-13(18)19(25)21-15/h1-7,10,20,22,24H,8-9H2,(H,21,25)
InChIKeyPRPUAVXHFAGJDS-UHFFFAOYSA-N
MW428.43 g/mol
LogP2.52
Rot. Bonds7

About N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 55662991) has the molecular formula C19H16N4O6S and a molecular weight of 428.43 g/mol. Its IUPAC name is N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID55662991
Molecular FormulaC19H16N4O6S
Molecular Weight428.43 g/mol
Exact Mass428.08
IUPAC NameN-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3NCCO)c3cccc1c23
InChIInChI=1S/C19H16N4O6S/c24-9-8-20-14-5-4-11(23(26)27)10-16(14)22-30(28,29)17-7-6-15-18-12(17)2-1-3-13(18)19(25)21-15/h1-7,10,20,22,24H,8-9H2,(H,21,25)
InChIKeyPRPUAVXHFAGJDS-UHFFFAOYSA-N
XLogP2.52
TPSA150.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-fluoro-1-(4-nitrophenyl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 66906219
3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid
CID 52874674
2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide
CID 3248684
2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55896537
2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55662957
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 55895798
N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 15942931
N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 166179424
2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 52698680
3,5-dimethyl-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzoic acid
CID 52861291
2-[4-nitro-2-[(3-nitrophenyl)methylamino]anilino]ethanol
CID 110881540
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 55896507

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 55662991) is N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3NCCO)c3cccc1c23.
What is the InChIKey of N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is PRPUAVXHFAGJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O6S/c24-9-8-20-14-5-4-11(23(26)27)10-16(14)22-30(28,29)17-7-6-15-18-12(17)2-1-3-13(18)19(25)21-15/h1-7,10,20,22,24H,8-9H2,(H,21,25).
What are the key properties of N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 428.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 55662991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).