2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide

C17H23ClN2O3S — CID 1079106

IUPAC2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H23ClN2O3S/c18-16-9-8-14(24(22,23)20-10-4-5-11-20)12-15(16)17(21)19-13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,21)
InChIKeyWFNFOQMNPPXILT-UHFFFAOYSA-N
MW370.90 g/mol
LogP3.19
Rot. Bonds4

About 2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1079106) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1079106
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H23ClN2O3S/c18-16-9-8-14(24(22,23)20-10-4-5-11-20)12-15(16)17(21)19-13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,21)
InChIKeyWFNFOQMNPPXILT-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide (CID 1079106) is 2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(NC1CCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is WFNFOQMNPPXILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c18-16-9-8-14(24(22,23)20-10-4-5-11-20)12-15(16)17(21)19-13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,21).
What are the key properties of 2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 370.90 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1079106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).