N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide

C24H32N2O4S2 — CID 6551567

IUPACN-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCCC2)cc1
InChIInChI=1S/C24H32N2O4S2/c1-20-9-7-8-18-25(20)31(27,28)23-14-16-24(17-15-23)32(29,30)26(22-12-5-6-13-22)19-21-10-3-2-4-11-21/h2-4,10-11,14-17,20,22H,5-9,12-13,18-19H2,1H3/t20-/m1/s1
InChIKeyMCEIDWYSMAQGNA-HXUWFJFHSA-N
MW476.66 g/mol
LogP4.38
Rot. Bonds7

About N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide

N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 6551567) has the molecular formula C24H32N2O4S2 and a molecular weight of 476.66 g/mol. Its IUPAC name is N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID6551567
Molecular FormulaC24H32N2O4S2
Molecular Weight476.66 g/mol
Exact Mass476.18
IUPAC NameN-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCCC2)cc1
InChIInChI=1S/C24H32N2O4S2/c1-20-9-7-8-18-25(20)31(27,28)23-14-16-24(17-15-23)32(29,30)26(22-12-5-6-13-22)19-21-10-3-2-4-11-21/h2-4,10-11,14-17,20,22H,5-9,12-13,18-19H2,1H3/t20-/m1/s1
InChIKeyMCEIDWYSMAQGNA-HXUWFJFHSA-N
XLogP4.38
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.66
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide (CID 6551567) is N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide is C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCCC2)cc1.
What is the InChIKey of N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is MCEIDWYSMAQGNA-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H32N2O4S2/c1-20-9-7-8-18-25(20)31(27,28)23-14-16-24(17-15-23)32(29,30)26(22-12-5-6-13-22)19-21-10-3-2-4-11-21/h2-4,10-11,14-17,20,22H,5-9,12-13,18-19H2,1H3/t20-/m1/s1.
What are the key properties of N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide?
N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 476.66 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 6551567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).