1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea

C19H15FN4O4S2 — CID 25041264

IUPAC1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea
SMILESO=[N+]([O-])c1ccccc1NC(=S)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O4S2/c20-13-9-11-14(12-10-13)30(27,28)23-16-6-2-1-5-15(16)21-19(29)22-17-7-3-4-8-18(17)24(25)26/h1-12,23H,(H2,21,22,29)
InChIKeyKFFUCVHKWHWCIT-UHFFFAOYSA-N
MW446.49 g/mol
LogP4.34
Rot. Bonds6

About 1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea

1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea (PubChem CID 25041264) has the molecular formula C19H15FN4O4S2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea
PubChem CID25041264
Molecular FormulaC19H15FN4O4S2
Molecular Weight446.49 g/mol
Exact Mass446.05
IUPAC Name1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea
SMILESO=[N+]([O-])c1ccccc1NC(=S)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O4S2/c20-13-9-11-14(12-10-13)30(27,28)23-16-6-2-1-5-15(16)21-19(29)22-17-7-3-4-8-18(17)24(25)26/h1-12,23H,(H2,21,22,29)
InChIKeyKFFUCVHKWHWCIT-UHFFFAOYSA-N
XLogP4.34
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-2-nitrophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
CID 19687409
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
4-(bromomethyl)-N-(2-nitrophenyl)benzenesulfonamide
CID 65481606
1-(4-aminophenyl)-3-(2-nitrophenyl)thiourea
CID 87226985
1-(4-fluoro-2-nitrophenyl)-3-(2-methoxyphenyl)thiourea
CID 19687362
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(2-nitrophenyl)thiourea
CID 7934361
N-(2-nitrophenyl)naphthalene-2-sulfonamide
CID 19203612
1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-nitrophenyl)urea
CID 21184794
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide
CID 142740286
1-(5-chloro-2-hydroxyphenyl)-3-(2-nitrophenyl)thiourea
CID 127594666

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea?
The IUPAC name of 1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea (CID 25041264) is 1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea?
The canonical SMILES for 1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea is O=[N+]([O-])c1ccccc1NC(=S)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea?
The InChIKey is KFFUCVHKWHWCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4S2/c20-13-9-11-14(12-10-13)30(27,28)23-16-6-2-1-5-15(16)21-19(29)22-17-7-3-4-8-18(17)24(25)26/h1-12,23H,(H2,21,22,29).
What are the key properties of 1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea?
1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea has a molecular weight of 446.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(2-nitrophenyl)thiourea is sourced from PubChem (CID 25041264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).