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

C20H23FN6O2S — CID 166594268

IUPACN-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1NC1NNC(c2ccc(-n3ccnc3)cc2)C1F
InChIInChI=1S/C20H23FN6O2S/c1-13-11-15(26-30(2,28)29)5-8-17(13)23-20-18(21)19(24-25-20)14-3-6-16(7-4-14)27-10-9-22-12-27/h3-12,18-20,23-26H,1-2H3
InChIKeyGRMIJXMSXBMQHP-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.48
Rot. Bonds6

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

N-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide (PubChem CID 166594268) has the molecular formula C20H23FN6O2S and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide
PubChem CID166594268
Molecular FormulaC20H23FN6O2S
Molecular Weight430.51 g/mol
Exact Mass430.16
IUPAC NameN-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1NC1NNC(c2ccc(-n3ccnc3)cc2)C1F
InChIInChI=1S/C20H23FN6O2S/c1-13-11-15(26-30(2,28)29)5-8-17(13)23-20-18(21)19(24-25-20)14-3-6-16(7-4-14)27-10-9-22-12-27/h3-12,18-20,23-26H,1-2H3
InChIKeyGRMIJXMSXBMQHP-UHFFFAOYSA-N
XLogP2.48
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide (CID 166594268) is N-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide is Cc1cc(NS(C)(=O)=O)ccc1NC1NNC(c2ccc(-n3ccnc3)cc2)C1F.
What is the InChIKey of N-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide?
The InChIKey is GRMIJXMSXBMQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2S/c1-13-11-15(26-30(2,28)29)5-8-17(13)23-20-18(21)19(24-25-20)14-3-6-16(7-4-14)27-10-9-22-12-27/h3-12,18-20,23-26H,1-2H3.
What are the key properties of N-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide?
N-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide has a molecular weight of 430.51 g/mol, XLogP of 2.48, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-fluoro-5-(4-imidazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3-methylphenyl]methanesulfonamide is sourced from PubChem (CID 166594268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).