N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide

C18H22N2O3S — CID 44578318

IUPACN-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H22N2O3S/c1-24(21,22)20(16-11-12-19-13-16)14-15-7-5-6-10-18(15)23-17-8-3-2-4-9-17/h2-10,16,19H,11-14H2,1H3/t16-/m0/s1
InChIKeyJBTZQUNHYUVAIK-INIZCTEOSA-N
MW346.45 g/mol
LogP2.60
Rot. Bonds6

About N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide

N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide (PubChem CID 44578318) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide
PubChem CID44578318
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H22N2O3S/c1-24(21,22)20(16-11-12-19-13-16)14-15-7-5-6-10-18(15)23-17-8-3-2-4-9-17/h2-10,16,19H,11-14H2,1H3/t16-/m0/s1
InChIKeyJBTZQUNHYUVAIK-INIZCTEOSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide (CID 44578318) is N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1.
What is the InChIKey of N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is JBTZQUNHYUVAIK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-24(21,22)20(16-11-12-19-13-16)14-15-7-5-6-10-18(15)23-17-8-3-2-4-9-17/h2-10,16,19H,11-14H2,1H3/t16-/m0/s1.
What are the key properties of N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide?
N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 44578318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).