3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide

C16H17ClN2O3S2 — CID 18574884

IUPAC3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O3S2/c17-13-5-1-4-12(10-13)16(20)18-11-14-6-2-8-19(14)24(21,22)15-7-3-9-23-15/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,18,20)
InChIKeyLFANJSVZCQMCSA-UHFFFAOYSA-N
MW384.91 g/mol
LogP2.98
Rot. Bonds5

About 3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide

3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 18574884) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
PubChem CID18574884
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O3S2/c17-13-5-1-4-12(10-13)16(20)18-11-14-6-2-8-19(14)24(21,22)15-7-3-9-23-15/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,18,20)
InChIKeyLFANJSVZCQMCSA-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide (CID 18574884) is 3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide is O=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is LFANJSVZCQMCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c17-13-5-1-4-12(10-13)16(20)18-11-14-6-2-8-19(14)24(21,22)15-7-3-9-23-15/h1,3-5,7,9-10,14H,2,6,8,11H2,(H,18,20).
What are the key properties of 3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 384.91 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 18574884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).