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

C16H17N3O3S — CID 711634

IUPACN-pyridin-3-yl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H17N3O3S/c20-16(18-14-6-4-8-17-12-14)13-5-3-7-15(11-13)23(21,22)19-9-1-2-10-19/h3-8,11-12H,1-2,9-10H2,(H,18,20)
InChIKeyJYEWHJTWIVHOHX-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.12
Rot. Bonds4

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

N-pyridin-3-yl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 711634) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-pyridin-3-yl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-pyridin-3-yl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID711634
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-pyridin-3-yl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H17N3O3S/c20-16(18-14-6-4-8-17-12-14)13-5-3-7-15(11-13)23(21,22)19-9-1-2-10-19/h3-8,11-12H,1-2,9-10H2,(H,18,20)
InChIKeyJYEWHJTWIVHOHX-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-3-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-pyridin-3-yl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 711634) is N-pyridin-3-yl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-pyridin-3-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-pyridin-3-yl-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-pyridin-3-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is JYEWHJTWIVHOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-16(18-14-6-4-8-17-12-14)13-5-3-7-15(11-13)23(21,22)19-9-1-2-10-19/h3-8,11-12H,1-2,9-10H2,(H,18,20).
What are the key properties of N-pyridin-3-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-pyridin-3-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-3-yl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 711634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).