3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide

C15H14FN3O5S — CID 7964817

IUPAC3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O5S/c1-24-13-7-6-11(25(17,22)23)8-12(13)15(21)19-18-14(20)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyBYWCPUMMWYIDNA-UHFFFAOYSA-N
MW367.36 g/mol
LogP0.56
Rot. Bonds4

About 3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide

3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide (PubChem CID 7964817) has the molecular formula C15H14FN3O5S and a molecular weight of 367.36 g/mol. Its IUPAC name is 3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide
PubChem CID7964817
Molecular FormulaC15H14FN3O5S
Molecular Weight367.36 g/mol
Exact Mass367.06
IUPAC Name3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FN3O5S/c1-24-13-7-6-11(25(17,22)23)8-12(13)15(21)19-18-14(20)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyBYWCPUMMWYIDNA-UHFFFAOYSA-N
XLogP0.56
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 27644258
3-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 9367206
N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55947717
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 7978237
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 35606335
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518351
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 27568145
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 4851180
N'-(2,4-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 26893672

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide (CID 7964817) is 3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide?
The InChIKey is BYWCPUMMWYIDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O5S/c1-24-13-7-6-11(25(17,22)23)8-12(13)15(21)19-18-14(20)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,18,20)(H,19,21)(H2,17,22,23).
What are the key properties of 3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide?
3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide has a molecular weight of 367.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 7964817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).