N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide

C20H26N2O2S — CID 44578268

IUPACN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C20H26N2O2S/c1-2-14-25(23,24)22(19-12-13-21-15-19)16-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,19,21H,2,12-16H2,1H3/t19-/m0/s1
InChIKeyBYZZRTNQROTLCL-IBGZPJMESA-N
MW358.51 g/mol
LogP3.26
Rot. Bonds7

About N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide

N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide (PubChem CID 44578268) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide
PubChem CID44578268
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C20H26N2O2S/c1-2-14-25(23,24)22(19-12-13-21-15-19)16-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,19,21H,2,12-16H2,1H3/t19-/m0/s1
InChIKeyBYZZRTNQROTLCL-IBGZPJMESA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.26
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]propane-1-sulfonamide?
The IUPAC name of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide (CID 44578268) is N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide?
The InChIKey is BYZZRTNQROTLCL-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-2-14-25(23,24)22(19-12-13-21-15-19)16-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,19,21H,2,12-16H2,1H3/t19-/m0/s1.
What are the key properties of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide?
N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.26, 7 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]propane-1-sulfonamide is sourced from PubChem (CID 44578268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).