N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide

C21H18FN3O4S — CID 46521478

IUPACN-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18FN3O4S/c22-17-10-6-15(7-11-17)14-20(26)23-24-21(27)16-8-12-18(13-9-16)25-30(28,29)19-4-2-1-3-5-19/h1-13,25H,14H2,(H,23,26)(H,24,27)
InChIKeyWSYVZRRQWXDPTC-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.63
Rot. Bonds6

About N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide

N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide (PubChem CID 46521478) has the molecular formula C21H18FN3O4S and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
PubChem CID46521478
Molecular FormulaC21H18FN3O4S
Molecular Weight427.46 g/mol
Exact Mass427.10
IUPAC NameN-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18FN3O4S/c22-17-10-6-15(7-11-17)14-20(26)23-24-21(27)16-8-12-18(13-9-16)25-30(28,29)19-4-2-1-3-5-19/h1-13,25H,14H2,(H,23,26)(H,24,27)
InChIKeyWSYVZRRQWXDPTC-UHFFFAOYSA-N
XLogP2.63
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 26656829
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate
CID 25494260
3-[[(4-bromobenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 2518308
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869288
2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]-N-propan-2-ylbenzamide
CID 34556664
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
N-[4-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 24541019

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide (CID 46521478) is N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide is O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is WSYVZRRQWXDPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4S/c22-17-10-6-15(7-11-17)14-20(26)23-24-21(27)16-8-12-18(13-9-16)25-30(28,29)19-4-2-1-3-5-19/h1-13,25H,14H2,(H,23,26)(H,24,27).
What are the key properties of N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide?
N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 427.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 46521478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).