N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

C20H16F3N3O5S2 — CID 10311292

IUPACN-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F3N3O5S2/c21-20(22,23)15-8-12-18(13-9-15)32(28,29)25-16-10-6-14(7-11-16)19(27)24-26-33(30,31)17-4-2-1-3-5-17/h1-13,25-26H,(H,24,27)
InChIKeyXINORQLYGQERAV-UHFFFAOYSA-N
MW499.49 g/mol
LogP3.13
Rot. Bonds7

About N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 10311292) has the molecular formula C20H16F3N3O5S2 and a molecular weight of 499.49 g/mol. Its IUPAC name is N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID10311292
Molecular FormulaC20H16F3N3O5S2
Molecular Weight499.49 g/mol
Exact Mass499.05
IUPAC NameN-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F3N3O5S2/c21-20(22,23)15-8-12-18(13-9-15)32(28,29)25-16-10-6-14(7-11-16)19(27)24-26-33(30,31)17-4-2-1-3-5-17/h1-13,25-26H,(H,24,27)
InChIKeyXINORQLYGQERAV-UHFFFAOYSA-N
XLogP3.13
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 53.13
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-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid
CID 155949885
4-(benzenesulfonamido)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 31147171
N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide
CID 25469578
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 90786253
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide
CID 10289140
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 2730887
N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide
CID 8617155
N-[4-(2-sulfanylacetyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11462996
N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide
CID 18184877
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 166627714

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 10311292) is N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is O=C(NNS(=O)(=O)c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XINORQLYGQERAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O5S2/c21-20(22,23)15-8-12-18(13-9-15)32(28,29)25-16-10-6-14(7-11-16)19(27)24-26-33(30,31)17-4-2-1-3-5-17/h1-13,25-26H,(H,24,27).
What are the key properties of N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 499.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 10311292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).