N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C18H19FN2O3S — CID 2110155

IUPACN-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H19FN2O3S/c19-16-8-6-14(7-9-16)13-20-18(22)15-4-3-5-17(12-15)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H,20,22)
InChIKeyCBQTWWXTCUHMKC-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.54
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2110155) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2110155
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H19FN2O3S/c19-16-8-6-14(7-9-16)13-20-18(22)15-4-3-5-17(12-15)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H,20,22)
InChIKeyCBQTWWXTCUHMKC-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2110155) is N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is CBQTWWXTCUHMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-16-8-6-14(7-9-16)13-20-18(22)15-4-3-5-17(12-15)25(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2110155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).