N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide

C18H13ClFN3O2S — CID 2242355

IUPACN'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccccn1)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClFN3O2S/c19-14-6-10-16(11-7-14)26(24,25)23-18(13-4-8-15(20)9-5-13)22-17-3-1-2-12-21-17/h1-12H,(H,21,22,23)
InChIKeyWCYFUKFLROEHHB-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.12
Rot. Bonds4

About N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide

N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide (PubChem CID 2242355) has the molecular formula C18H13ClFN3O2S and a molecular weight of 389.84 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide
PubChem CID2242355
Molecular FormulaC18H13ClFN3O2S
Molecular Weight389.84 g/mol
Exact Mass389.04
IUPAC NameN'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccccn1)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClFN3O2S/c19-14-6-10-16(11-7-14)26(24,25)23-18(13-4-8-15(20)9-5-13)22-17-3-1-2-12-21-17/h1-12H,(H,21,22,23)
InChIKeyWCYFUKFLROEHHB-UHFFFAOYSA-N
XLogP4.12
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-(Trifluoromethyl)anilino)pyridine-3-Sulfonamide
CID 902072
Arylsulfonylpiperazine, 20
CID 44237024
Arylsulfonylpiperazine, 25
CID 44237028
Bisanilinopyrimidine, 9n
CID 70702161
4-Chloro-1-((4-(2-pyridyl)piperazinyl)sulfonyl)benzene
CID 785520
N-[5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2815858
4-chloro-N-(pyridin-2-yl)benzenesulfonamide
CID 224199
N-(5-chloropyridin-2-yl)-4-fluorobenzenesulfonamide
CID 794044
1-[(4-Chlorophenyl)sulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 1484981
Arylsulfonylpiperazine, 22
CID 44237026
4-[2-[[5-(Trifluoromethyl)pyridin-2-yl]amino]ethyl]benzenesulfonamide
CID 2537673
4-Chloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 616967

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide (CID 2242355) is N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide is O=S(=O)(N=C(Nc1ccccn1)c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide?
The InChIKey is WCYFUKFLROEHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2S/c19-14-6-10-16(11-7-14)26(24,25)23-18(13-4-8-15(20)9-5-13)22-17-3-1-2-12-21-17/h1-12H,(H,21,22,23).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide?
N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide has a molecular weight of 389.84 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-4-fluoro-N-pyridin-2-ylbenzenecarboximidamide is sourced from PubChem (CID 2242355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).