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

C20H24N6O2S — CID 166594267

IUPACN-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1NC1CC(c2ccc(-n3ccnc3)cc2)NN1
InChIInChI=1S/C20H24N6O2S/c1-14-11-16(25-29(2,27)28)5-8-18(14)22-20-12-19(23-24-20)15-3-6-17(7-4-15)26-10-9-21-13-26/h3-11,13,19-20,22-25H,12H2,1-2H3
InChIKeyNNMMERDQVWREDD-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.53
Rot. Bonds6

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

N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide (PubChem CID 166594267) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide
PubChem CID166594267
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC NameN-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1NC1CC(c2ccc(-n3ccnc3)cc2)NN1
InChIInChI=1S/C20H24N6O2S/c1-14-11-16(25-29(2,27)28)5-8-18(14)22-20-12-19(23-24-20)15-3-6-17(7-4-15)26-10-9-21-13-26/h3-11,13,19-20,22-25H,12H2,1-2H3
InChIKeyNNMMERDQVWREDD-UHFFFAOYSA-N
XLogP2.53
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.53
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]-3-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide (CID 166594267) is N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide is Cc1cc(NS(C)(=O)=O)ccc1NC1CC(c2ccc(-n3ccnc3)cc2)NN1.
What is the InChIKey of N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide?
The InChIKey is NNMMERDQVWREDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-14-11-16(25-29(2,27)28)5-8-18(14)22-20-12-19(23-24-20)15-3-6-17(7-4-15)26-10-9-21-13-26/h3-11,13,19-20,22-25H,12H2,1-2H3.
What are the key properties of N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide?
N-[4-[[5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide has a molecular weight of 412.52 g/mol, XLogP of 2.53, 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]-3-methylphenyl]methanesulfonamide is sourced from PubChem (CID 166594267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).