2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide

C16H16ClN3O3S — CID 1316771

IUPAC2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C16H16ClN3O3S/c17-15-6-5-13(24(22,23)20-8-1-2-9-20)10-14(15)16(21)19-12-4-3-7-18-11-12/h3-7,10-11H,1-2,8-9H2,(H,19,21)
InChIKeySALKLJFXMKSFRR-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.77
Rot. Bonds4

About 2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1316771) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is 2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1316771
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C16H16ClN3O3S/c17-15-6-5-13(24(22,23)20-8-1-2-9-20)10-14(15)16(21)19-12-4-3-7-18-11-12/h3-7,10-11H,1-2,8-9H2,(H,19,21)
InChIKeySALKLJFXMKSFRR-UHFFFAOYSA-N
XLogP2.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide (CID 1316771) is 2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is SALKLJFXMKSFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c17-15-6-5-13(24(22,23)20-8-1-2-9-20)10-14(15)16(21)19-12-4-3-7-18-11-12/h3-7,10-11H,1-2,8-9H2,(H,19,21).
What are the key properties of 2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 365.84 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyridin-3-yl-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1316771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).