N-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide

C20H23ClFN5O4S — CID 59418567

IUPACN-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)N3CCCC3)nc2)c1F
InChIInChI=1S/C20H23ClFN5O4S/c1-2-11-32(30,31)26-15-7-6-14(21)17(18(15)22)19(28)24-13-5-8-16(23-12-13)25-20(29)27-9-3-4-10-27/h5-8,12,26H,2-4,9-11H2,1H3,(H,24,28)(H,23,25,29)
InChIKeyKJIRGNWHHGJHJT-UHFFFAOYSA-N
MW483.95 g/mol
LogP3.91
Rot. Bonds7

About N-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide

N-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 59418567) has the molecular formula C20H23ClFN5O4S and a molecular weight of 483.95 g/mol. Its IUPAC name is N-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID59418567
Molecular FormulaC20H23ClFN5O4S
Molecular Weight483.95 g/mol
Exact Mass483.11
IUPAC NameN-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)N3CCCC3)nc2)c1F
InChIInChI=1S/C20H23ClFN5O4S/c1-2-11-32(30,31)26-15-7-6-14(21)17(18(15)22)19(28)24-13-5-8-16(23-12-13)25-20(29)27-9-3-4-10-27/h5-8,12,26H,2-4,9-11H2,1H3,(H,24,28)(H,23,25,29)
InChIKeyKJIRGNWHHGJHJT-UHFFFAOYSA-N
XLogP3.91
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.95
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide (CID 59418567) is N-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)N3CCCC3)nc2)c1F.
What is the InChIKey of N-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is KJIRGNWHHGJHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN5O4S/c1-2-11-32(30,31)26-15-7-6-14(21)17(18(15)22)19(28)24-13-5-8-16(23-12-13)25-20(29)27-9-3-4-10-27/h5-8,12,26H,2-4,9-11H2,1H3,(H,24,28)(H,23,25,29).
What are the key properties of N-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide?
N-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 483.95 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[6-chloro-2-fluoro-3-(propylsulfonylamino)benzoyl]amino]-2-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 59418567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).