N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide

C20H15FN4O6S — CID 55362792

IUPACN-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
SMILESO=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F
InChIInChI=1S/C20H15FN4O6S/c21-17-10-3-1-8-15(17)19(26)22-23-20(27)16-9-2-4-11-18(16)24-32(30,31)14-7-5-6-13(12-14)25(28)29/h1-12,24H,(H,22,26)(H,23,27)
InChIKeyGFJYAOSZKIPLPM-UHFFFAOYSA-N
MW458.43 g/mol
LogP2.61
Rot. Bonds6

About N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide

N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide (PubChem CID 55362792) has the molecular formula C20H15FN4O6S and a molecular weight of 458.43 g/mol. Its IUPAC name is N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
PubChem CID55362792
Molecular FormulaC20H15FN4O6S
Molecular Weight458.43 g/mol
Exact Mass458.07
IUPAC NameN-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
SMILESO=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F
InChIInChI=1S/C20H15FN4O6S/c21-17-10-3-1-8-15(17)19(26)22-23-20(27)16-9-2-4-11-18(16)24-32(30,31)14-7-5-6-13(12-14)25(28)29/h1-12,24H,(H,22,26)(H,23,27)
InChIKeyGFJYAOSZKIPLPM-UHFFFAOYSA-N
XLogP2.61
TPSA147.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.43
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
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CID 2968335
(4-nitrophenyl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 16595511
N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 55531044
N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26549411
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 55443815
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-3-nitrobenzenesulfonamide
CID 90626956
2-[(3-nitrophenyl)sulfonylamino]-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46613626
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-3-nitrobenzenesulfonamide
CID 7484559
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide?
The IUPAC name of N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide (CID 55362792) is N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide is O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F.
What is the InChIKey of N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide?
The InChIKey is GFJYAOSZKIPLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O6S/c21-17-10-3-1-8-15(17)19(26)22-23-20(27)16-9-2-4-11-18(16)24-32(30,31)14-7-5-6-13(12-14)25(28)29/h1-12,24H,(H,22,26)(H,23,27).
What are the key properties of N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide?
N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide has a molecular weight of 458.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 55362792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).