5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid

C19H23N3O4S — CID 53024699

IUPAC5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)c(C(=O)O)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-13(2)14-5-7-16(8-6-14)27(25,26)21-15-11-17(19(23)24)18(20-12-15)22-9-3-4-10-22/h5-8,11-13,21H,3-4,9-10H2,1-2H3,(H,23,24)
InChIKeyRDVVNERZCHIYSV-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.30
Rot. Bonds6

About 5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid

5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid (PubChem CID 53024699) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
PubChem CID53024699
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)c(C(=O)O)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-13(2)14-5-7-16(8-6-14)27(25,26)21-15-11-17(19(23)24)18(20-12-15)22-9-3-4-10-22/h5-8,11-13,21H,3-4,9-10H2,1-2H3,(H,23,24)
InChIKeyRDVVNERZCHIYSV-UHFFFAOYSA-N
XLogP3.30
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid (CID 53024699) is 5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid is CC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is RDVVNERZCHIYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13(2)14-5-7-16(8-6-14)27(25,26)21-15-11-17(19(23)24)18(20-12-15)22-9-3-4-10-22/h5-8,11-13,21H,3-4,9-10H2,1-2H3,(H,23,24).
What are the key properties of 5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 389.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 53024699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).