N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide

C19H22N6O2S — CID 166594294

IUPACN-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NC2CC(c3ccc(-n4ccnc4)cc3)NN2)cc1
InChIInChI=1S/C19H22N6O2S/c1-28(26,27)24-16-6-4-15(5-7-16)21-19-12-18(22-23-19)14-2-8-17(9-3-14)25-11-10-20-13-25/h2-11,13,18-19,21-24H,12H2,1H3
InChIKeyNLMZRENDVZMUIL-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.22
Rot. Bonds6

About N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide

N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide (PubChem CID 166594294) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide
PubChem CID166594294
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NC2CC(c3ccc(-n4ccnc4)cc3)NN2)cc1
InChIInChI=1S/C19H22N6O2S/c1-28(26,27)24-16-6-4-15(5-7-16)21-19-12-18(22-23-19)14-2-8-17(9-3-14)25-11-10-20-13-25/h2-11,13,18-19,21-24H,12H2,1H3
InChIKeyNLMZRENDVZMUIL-UHFFFAOYSA-N
XLogP2.22
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide (CID 166594294) is N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NC2CC(c3ccc(-n4ccnc4)cc3)NN2)cc1.
What is the InChIKey of N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide?
The InChIKey is NLMZRENDVZMUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-28(26,27)24-16-6-4-15(5-7-16)21-19-12-18(22-23-19)14-2-8-17(9-3-14)25-11-10-20-13-25/h2-11,13,18-19,21-24H,12H2,1H3.
What are the key properties of N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide?
N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 166594294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).