N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide

C20H16F3N3O3S — CID 25469578

IUPACN-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16F3N3O3S/c21-20(22,23)17-8-4-5-9-18(17)24-25-19(27)14-10-12-15(13-11-14)26-30(28,29)16-6-2-1-3-7-16/h1-13,24,26H,(H,25,27)
InChIKeyONPNOKBWLYXXCY-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.26
Rot. Bonds6

About N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide

N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide (PubChem CID 25469578) has the molecular formula C20H16F3N3O3S and a molecular weight of 435.43 g/mol. Its IUPAC name is N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide
PubChem CID25469578
Molecular FormulaC20H16F3N3O3S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC NameN-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16F3N3O3S/c21-20(22,23)17-8-4-5-9-18(17)24-25-19(27)14-10-12-15(13-11-14)26-30(28,29)16-6-2-1-3-7-16/h1-13,24,26H,(H,25,27)
InChIKeyONPNOKBWLYXXCY-UHFFFAOYSA-N
XLogP4.26
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.26
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

4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
CID 55343394
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292
4-(benzenesulfonamido)-2-chloro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 92680505
N-phenyl-3-[4-[[2-(trifluoromethyl)anilino]carbamoyl]anilino]benzamide
CID 139914006
N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051
N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 18106352
[2-(trifluoromethyl)anilino]urea
CID 141255172
N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 2811204
4-(benzenesulfonamido)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 31147171
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-propan-2-ylbenzamide
CID 2979282
N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 46521478
4-[(4-bromophenyl)sulfonylamino]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6904569

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide (CID 25469578) is N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide is O=C(NNc1ccccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is ONPNOKBWLYXXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3S/c21-20(22,23)17-8-4-5-9-18(17)24-25-19(27)14-10-12-15(13-11-14)26-30(28,29)16-6-2-1-3-7-16/h1-13,24,26H,(H,25,27).
What are the key properties of N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide?
N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 435.43 g/mol, XLogP of 4.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 25469578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).