N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide

C17H26N2O2S — CID 14771468

IUPACN-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide
SMILESCN([C@H]1CCCC[C@H]1N1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26N2O2S/c1-18(22(20,21)15-9-3-2-4-10-15)16-11-5-6-12-17(16)19-13-7-8-14-19/h2-4,9-10,16-17H,5-8,11-14H2,1H3/t16-,17+/m0/s1
InChIKeyHIBDABZFAXNNBV-DLBZAZTESA-N
MW322.47 g/mol
LogP2.71
Rot. Bonds4

About N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide

N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide (PubChem CID 14771468) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide
PubChem CID14771468
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide
SMILESCN([C@H]1CCCC[C@H]1N1CCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26N2O2S/c1-18(22(20,21)15-9-3-2-4-10-15)16-11-5-6-12-17(16)19-13-7-8-14-19/h2-4,9-10,16-17H,5-8,11-14H2,1H3/t16-,17+/m0/s1
InChIKeyHIBDABZFAXNNBV-DLBZAZTESA-N
XLogP2.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide (CID 14771468) is N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide is CN([C@H]1CCCC[C@H]1N1CCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide?
The InChIKey is HIBDABZFAXNNBV-DLBZAZTESA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-18(22(20,21)15-9-3-2-4-10-15)16-11-5-6-12-17(16)19-13-7-8-14-19/h2-4,9-10,16-17H,5-8,11-14H2,1H3/t16-,17+/m0/s1.
What are the key properties of N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide?
N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide has a molecular weight of 322.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 14771468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).