1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide

C17H20N2O4S2 — CID 1077802

IUPAC1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H20N2O4S2/c20-24(21,14-15-6-2-1-3-7-15)18-16-8-10-17(11-9-16)25(22,23)19-12-4-5-13-19/h1-3,6-11,18H,4-5,12-14H2
InChIKeyFSSIKJJGJOVINO-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.41
Rot. Bonds6

About 1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide

1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide (PubChem CID 1077802) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
PubChem CID1077802
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H20N2O4S2/c20-24(21,14-15-6-2-1-3-7-15)18-16-8-10-17(11-9-16)25(22,23)19-12-4-5-13-19/h1-3,6-11,18H,4-5,12-14H2
InChIKeyFSSIKJJGJOVINO-UHFFFAOYSA-N
XLogP2.41
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
The IUPAC name of 1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide (CID 1077802) is 1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
The InChIKey is FSSIKJJGJOVINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c20-24(21,14-15-6-2-1-3-7-15)18-16-8-10-17(11-9-16)25(22,23)19-12-4-5-13-19/h1-3,6-11,18H,4-5,12-14H2.
What are the key properties of 1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide is sourced from PubChem (CID 1077802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).