N-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide

C16H17N3O3S — CID 2329257

IUPACN-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H17N3O3S/c20-16(18-14-6-8-17-9-7-14)13-4-3-5-15(12-13)23(21,22)19-10-1-2-11-19/h3-9,12H,1-2,10-11H2,(H,17,18,20)
InChIKeyQVRLERJWAMDPEB-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.12
Rot. Bonds4

About N-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide

N-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2329257) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2329257
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H17N3O3S/c20-16(18-14-6-8-17-9-7-14)13-4-3-5-15(12-13)23(21,22)19-10-1-2-11-19/h3-9,12H,1-2,10-11H2,(H,17,18,20)
InChIKeyQVRLERJWAMDPEB-UHFFFAOYSA-N
XLogP2.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2329257) is N-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccncc1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is QVRLERJWAMDPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-16(18-14-6-8-17-9-7-14)13-4-3-5-15(12-13)23(21,22)19-10-1-2-11-19/h3-9,12H,1-2,10-11H2,(H,17,18,20).
What are the key properties of N-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 331.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2329257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).