N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide

C12H16ClFN2O2S — CID 62532599

IUPACN-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C12H16ClFN2O2S/c13-11-6-9(3-4-12(11)14)7-16-19(17,18)10-2-1-5-15-8-10/h3-4,6,10,15-16H,1-2,5,7-8H2
InChIKeyDOIRADJEMUVZIU-UHFFFAOYSA-N
MW306.79 g/mol
LogP1.65
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide

N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide (PubChem CID 62532599) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide
PubChem CID62532599
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C12H16ClFN2O2S/c13-11-6-9(3-4-12(11)14)7-16-19(17,18)10-2-1-5-15-8-10/h3-4,6,10,15-16H,1-2,5,7-8H2
InChIKeyDOIRADJEMUVZIU-UHFFFAOYSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120876434
N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide
CID 62989771
N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006866
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide
CID 65418983
N-benzylpyrrolidine-3-sulfonamide
CID 65420907
N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide
CID 81280209
3-[(4-chloro-2-fluorophenyl)methylsulfonyl]piperidine
CID 84755143
N-(furan-2-ylmethyl)piperidine-3-sulfonamide
CID 24690010
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide
CID 106013660
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide (CID 62532599) is N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide is O=S(=O)(NCc1ccc(F)c(Cl)c1)C1CCCNC1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide?
The InChIKey is DOIRADJEMUVZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c13-11-6-9(3-4-12(11)14)7-16-19(17,18)10-2-1-5-15-8-10/h3-4,6,10,15-16H,1-2,5,7-8H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide?
N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide has a molecular weight of 306.79 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 62532599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).