2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine

C23H18Cl2N4O2S2 — CID 134227739

IUPAC2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine
SMILESN/C(=N\Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C23H18Cl2N4O2S2/c24-17-7-3-15(4-8-17)20-12-19(27-14-21(20)16-5-9-18(25)10-6-16)13-28-23(26)29-33(30,31)22-2-1-11-32-22/h1-12,14H,13H2,(H3,26,28,29)
InChIKeyXQTZCBPRDMDVFC-UHFFFAOYSA-N
MW517.46 g/mol
LogP5.58
Rot. Bonds6

About 2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine

2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine (PubChem CID 134227739) has the molecular formula C23H18Cl2N4O2S2 and a molecular weight of 517.46 g/mol. Its IUPAC name is 2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine.

Molecular Properties

Compound Name2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine
PubChem CID134227739
Molecular FormulaC23H18Cl2N4O2S2
Molecular Weight517.46 g/mol
Exact Mass516.02
IUPAC Name2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine
SMILESN/C(=N\Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C23H18Cl2N4O2S2/c24-17-7-3-15(4-8-17)20-12-19(27-14-21(20)16-5-9-18(25)10-6-16)13-28-23(26)29-33(30,31)22-2-1-11-32-22/h1-12,14H,13H2,(H3,26,28,29)
InChIKeyXQTZCBPRDMDVFC-UHFFFAOYSA-N
XLogP5.58
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.46
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[4-(4-chlorophenyl)-3-(4-methoxyphenyl)phenyl]methyl]-1-thiophen-2-ylsulfonylguanidine
CID 142418362
thiophen-2-ylsulfonylurea;urea
CID 19065180
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321684
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 112503125
N-[4,5-dichloro-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970196
N-thiophen-2-ylsulfonylcyclopropanecarboxamide
CID 47232134
N-[5-(4-chloroanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033430
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
4-chloro-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8500420
1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea
CID 19089331
5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide
CID 133397446
2-chloro-N-thiophen-2-ylsulfonylbenzamide
CID 975839

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine?
The IUPAC name of 2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine (CID 134227739) is 2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine.
What is the SMILES notation for 2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine?
The canonical SMILES for 2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine is N/C(=N\Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn1)NS(=O)(=O)c1cccs1.
What is the InChIKey of 2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine?
The InChIKey is XQTZCBPRDMDVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O2S2/c24-17-7-3-15(4-8-17)20-12-19(27-14-21(20)16-5-9-18(25)10-6-16)13-28-23(26)29-33(30,31)22-2-1-11-32-22/h1-12,14H,13H2,(H3,26,28,29).
What are the key properties of 2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine?
2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine has a molecular weight of 517.46 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis(4-chlorophenyl)-2-pyridinyl]methyl]-1-thiophen-2-ylsulfonylguanidine is sourced from PubChem (CID 134227739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).