4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide

C19H19ClF2N2O3S — CID 26359533

IUPAC4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc2Cl)C1
InChIInChI=1S/C19H19ClF2N2O3S/c1-12-3-2-8-24(11-12)28(26,27)18-9-13(4-6-15(18)20)19(25)23-17-7-5-14(21)10-16(17)22/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,23,25)/t12-/m0/s1
InChIKeyQJNANPHTVZFZEQ-LBPRGKRZSA-N
MW428.89 g/mol
LogP4.29
Rot. Bonds4

About 4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide

4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 26359533) has the molecular formula C19H19ClF2N2O3S and a molecular weight of 428.89 g/mol. Its IUPAC name is 4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID26359533
Molecular FormulaC19H19ClF2N2O3S
Molecular Weight428.89 g/mol
Exact Mass428.08
IUPAC Name4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc2Cl)C1
InChIInChI=1S/C19H19ClF2N2O3S/c1-12-3-2-8-24(11-12)28(26,27)18-9-13(4-6-15(18)20)19(25)23-17-7-5-14(21)10-16(17)22/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,23,25)/t12-/m0/s1
InChIKeyQJNANPHTVZFZEQ-LBPRGKRZSA-N
XLogP4.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of 4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide (CID 26359533) is 4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide is C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc2Cl)C1.
What is the InChIKey of 4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is QJNANPHTVZFZEQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClF2N2O3S/c1-12-3-2-8-24(11-12)28(26,27)18-9-13(4-6-15(18)20)19(25)23-17-7-5-14(21)10-16(17)22/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,23,25)/t12-/m0/s1.
What are the key properties of 4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide?
4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 428.89 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 26359533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).