N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide

C16H24N2O5S2 — CID 164627826

IUPACN-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
SMILESCOCC[C@]1(NS(=O)(=O)c2ccccc2)CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C16H24N2O5S2/c1-23-12-10-16(17-24(19,20)14-5-3-2-4-6-14)9-11-18(13-16)25(21,22)15-7-8-15/h2-6,15,17H,7-13H2,1H3/t16-/m1/s1
InChIKeyHARYUHKNUNNDTK-MRXNPFEDSA-N
MW388.51 g/mol
LogP0.94
Rot. Bonds8

About N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide

N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 164627826) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
PubChem CID164627826
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC NameN-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
SMILESCOCC[C@]1(NS(=O)(=O)c2ccccc2)CCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C16H24N2O5S2/c1-23-12-10-16(17-24(19,20)14-5-3-2-4-6-14)9-11-18(13-16)25(21,22)15-7-8-15/h2-6,15,17H,7-13H2,1H3/t16-/m1/s1
InChIKeyHARYUHKNUNNDTK-MRXNPFEDSA-N
XLogP0.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide (CID 164627826) is N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide is COCC[C@]1(NS(=O)(=O)c2ccccc2)CCN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is HARYUHKNUNNDTK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-23-12-10-16(17-24(19,20)14-5-3-2-4-6-14)9-11-18(13-16)25(21,22)15-7-8-15/h2-6,15,17H,7-13H2,1H3/t16-/m1/s1.
What are the key properties of N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide?
N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 388.51 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclopropylsulfonyl-3-(2-methoxyethyl)pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 164627826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).