N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C18H28N2O4S2 — CID 3202145

IUPACN-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H28N2O4S2/c1-2-20(16-9-4-3-5-10-16)26(23,24)18-12-8-11-17(15-18)25(21,22)19-13-6-7-14-19/h8,11-12,15-16H,2-7,9-10,13-14H2,1H3
InChIKeyZFGINPAONNDMRZ-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.81
Rot. Bonds6

About N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 3202145) has the molecular formula C18H28N2O4S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID3202145
Molecular FormulaC18H28N2O4S2
Molecular Weight400.57 g/mol
Exact Mass400.15
IUPAC NameN-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H28N2O4S2/c1-2-20(16-9-4-3-5-10-16)26(23,24)18-12-8-11-17(15-18)25(21,22)19-13-6-7-14-19/h8,11-12,15-16H,2-7,9-10,13-14H2,1H3
InChIKeyZFGINPAONNDMRZ-UHFFFAOYSA-N
XLogP2.81
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 3202145) is N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is ZFGINPAONNDMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S2/c1-2-20(16-9-4-3-5-10-16)26(23,24)18-12-8-11-17(15-18)25(21,22)19-13-6-7-14-19/h8,11-12,15-16H,2-7,9-10,13-14H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 400.57 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 3202145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).