N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C17H16ClFN2O3S — CID 4810789

IUPACN-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H16ClFN2O3S/c18-15-11-13(19)5-8-16(15)20-17(22)12-3-6-14(7-4-12)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyDYIXKFWEBNAZPV-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.52
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 4810789) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID4810789
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H16ClFN2O3S/c18-15-11-13(19)5-8-16(15)20-17(22)12-3-6-14(7-4-12)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyDYIXKFWEBNAZPV-UHFFFAOYSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 1355774
4-chloro-N-(2-chloro-4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26693077
4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18893490
4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 8759383
N-(2-chloro-4-fluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083656
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 39850616
N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26239772
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 4810789) is N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(F)cc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is DYIXKFWEBNAZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c18-15-11-13(19)5-8-16(15)20-17(22)12-3-6-14(7-4-12)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 382.84 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4810789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).