2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine

C24H29N4O2S+ — CID 10602464

IUPAC2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1-c1ccc(S(=O)(=O)N=C(N)N)cc1
InChIInChI=1S/C24H29N4O2S/c1-16(2)22-14-19(18-8-6-5-7-9-18)15-23(17(3)4)28(22)20-10-12-21(13-11-20)31(29,30)27-24(25)26/h5-17H,1-4H3,(H4,25,26,27)/q+1
InChIKeyUHKNNXLWYRRRRA-UHFFFAOYSA-N
MW437.59 g/mol
LogP3.84
Rot. Bonds6

About 2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine

2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine (PubChem CID 10602464) has the molecular formula C24H29N4O2S+ and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine
PubChem CID10602464
Molecular FormulaC24H29N4O2S+
Molecular Weight437.59 g/mol
Exact Mass437.20
IUPAC Name2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1-c1ccc(S(=O)(=O)N=C(N)N)cc1
InChIInChI=1S/C24H29N4O2S/c1-16(2)22-14-19(18-8-6-5-7-9-18)15-23(17(3)4)28(22)20-10-12-21(13-11-20)31(29,30)27-24(25)26/h5-17H,1-4H3,(H4,25,26,27)/q+1
InChIKeyUHKNNXLWYRRRRA-UHFFFAOYSA-N
XLogP3.84
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)phenyl]sulfonylguanidine perchlorate
CID 10838457
4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]benzenesulfonamide chlorate
CID 24993673
2-[4-(2-butyl-4,6-diphenylpyridin-1-ium-1-yl)phenyl]sulfonylguanidine perchlorate
CID 10650956
2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine
CID 140967674
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(4-phenyl-2,6-dipropylpyridin-1-ium-1-yl)propanamide
CID 10793799
N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)propanamide
CID 10416531
4-[[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonamide perchlorate
CID 10577600
2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
CID 2842661
4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium
CID 3707188
N'-(benzenesulfonyl)ethanimidamide
CID 3716690
2-(4-methoxyphenyl)sulfonylguanidine
CID 10775754

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine (CID 10602464) is 2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine is CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1-c1ccc(S(=O)(=O)N=C(N)N)cc1.
What is the InChIKey of 2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine?
The InChIKey is UHKNNXLWYRRRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N4O2S/c1-16(2)22-14-19(18-8-6-5-7-9-18)15-23(17(3)4)28(22)20-10-12-21(13-11-20)31(29,30)27-24(25)26/h5-17H,1-4H3,(H4,25,26,27)/q+1.
What are the key properties of 2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine?
2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine has a molecular weight of 437.59 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine is sourced from PubChem (CID 10602464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).