4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide

C17H23ClN2O3S — CID 2623606

IUPAC4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H23ClN2O3S/c18-15-9-8-13(17(21)19-14-6-2-1-3-7-14)12-16(15)24(22,23)20-10-4-5-11-20/h8-9,12,14H,1-7,10-11H2,(H,19,21)
InChIKeyPPIHOCGCZJQBTB-UHFFFAOYSA-N
MW370.90 g/mol
LogP3.19
Rot. Bonds4

About 4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide

4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2623606) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2623606
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H23ClN2O3S/c18-15-9-8-13(17(21)19-14-6-2-1-3-7-14)12-16(15)24(22,23)20-10-4-5-11-20/h8-9,12,14H,1-7,10-11H2,(H,19,21)
InChIKeyPPIHOCGCZJQBTB-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 4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2623606) is 4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is PPIHOCGCZJQBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c18-15-9-8-13(17(21)19-14-6-2-1-3-7-14)12-16(15)24(22,23)20-10-4-5-11-20/h8-9,12,14H,1-7,10-11H2,(H,19,21).
What are the key properties of 4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide?
4-chloro-N-cyclohexyl-3-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 4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2623606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).