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

C18H14ClN3O2S — CID 2177031

IUPACN'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccccn1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-15-9-11-16(12-10-15)25(23,24)22-18(14-6-2-1-3-7-14)21-17-8-4-5-13-20-17/h1-13H,(H,20,21,22)
InChIKeyDJSDXNGVCOPHHQ-UHFFFAOYSA-N
MW371.85 g/mol
LogP3.98
Rot. Bonds4

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

N'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide (PubChem CID 2177031) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide
PubChem CID2177031
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC NameN'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccccn1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-15-9-11-16(12-10-15)25(23,24)22-18(14-6-2-1-3-7-14)21-17-8-4-5-13-20-17/h1-13H,(H,20,21,22)
InChIKeyDJSDXNGVCOPHHQ-UHFFFAOYSA-N
XLogP3.98
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide (CID 2177031) is N'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide is O=S(=O)(N=C(Nc1ccccn1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide?
The InChIKey is DJSDXNGVCOPHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-15-9-11-16(12-10-15)25(23,24)22-18(14-6-2-1-3-7-14)21-17-8-4-5-13-20-17/h1-13H,(H,20,21,22).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide?
N'-(4-chlorophenyl)sulfonyl-N-pyridin-2-ylbenzenecarboximidamide has a molecular weight of 371.85 g/mol, XLogP of 3.98, 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-N-pyridin-2-ylbenzenecarboximidamide is sourced from PubChem (CID 2177031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).