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

C18H22N2O2S — CID 44578266

IUPACN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H22N2O2S/c1-23(21,22)20(17-11-12-19-13-17)14-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-10,17,19H,11-14H2,1H3/t17-/m0/s1
InChIKeyHUGQKIWTNMQGCP-KRWDZBQOSA-N
MW330.45 g/mol
LogP2.48
Rot. Bonds5

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

N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide (PubChem CID 44578266) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide
PubChem CID44578266
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H22N2O2S/c1-23(21,22)20(17-11-12-19-13-17)14-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-10,17,19H,11-14H2,1H3/t17-/m0/s1
InChIKeyHUGQKIWTNMQGCP-KRWDZBQOSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide (CID 44578266) is N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is HUGQKIWTNMQGCP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-23(21,22)20(17-11-12-19-13-17)14-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-10,17,19H,11-14H2,1H3/t17-/m0/s1.
What are the key properties of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide?
N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 44578266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).