2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide

C17H18Cl2N2O2S — CID 90620054

IUPAC2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN1c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H18Cl2N2O2S/c18-15-9-4-10-16(19)17(15)24(22,23)20-12-14-8-5-11-21(14)13-6-2-1-3-7-13/h1-4,6-7,9-10,14,20H,5,8,11-12H2
InChIKeyGCGJVVKQYQWNSV-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.94
Rot. Bonds5

About 2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide

2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide (PubChem CID 90620054) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
PubChem CID90620054
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN1c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H18Cl2N2O2S/c18-15-9-4-10-16(19)17(15)24(22,23)20-12-14-8-5-11-21(14)13-6-2-1-3-7-13/h1-4,6-7,9-10,14,20H,5,8,11-12H2
InChIKeyGCGJVVKQYQWNSV-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide (CID 90620054) is 2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCCN1c1ccccc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is GCGJVVKQYQWNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c18-15-9-4-10-16(19)17(15)24(22,23)20-12-14-8-5-11-21(14)13-6-2-1-3-7-13/h1-4,6-7,9-10,14,20H,5,8,11-12H2.
What are the key properties of 2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide?
2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 385.32 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 90620054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).