N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride

C14H21ClF2N2O2S — CID 120724421

IUPACN-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NC1CNCCC1c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C14H20F2N2O2S.ClH/c1-2-7-21(19,20)18-14-9-17-6-5-11(14)10-3-4-12(15)13(16)8-10;/h3-4,8,11,14,17-18H,2,5-7,9H2,1H3;1H
InChIKeyWHGJUNNQGSSHGC-UHFFFAOYSA-N
MW354.85 g/mol
LogP2.16
Rot. Bonds5

About N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride

N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride (PubChem CID 120724421) has the molecular formula C14H21ClF2N2O2S and a molecular weight of 354.85 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride
PubChem CID120724421
Molecular FormulaC14H21ClF2N2O2S
Molecular Weight354.85 g/mol
Exact Mass354.10
IUPAC NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NC1CNCCC1c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C14H20F2N2O2S.ClH/c1-2-7-21(19,20)18-14-9-17-6-5-11(14)10-3-4-12(15)13(16)8-10;/h3-4,8,11,14,17-18H,2,5-7,9H2,1H3;1H
InChIKeyWHGJUNNQGSSHGC-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2-methylsulfonylethanesulfonamide;hydrochloride
CID 120724389
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzenesulfonamide;hydrochloride
CID 120724373
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide
CID 120724398
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide
CID 120724404
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120724371
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120724417
N-[(3R,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-nitrobenzenesulfonamide
CID 178191044
N-[(3S,4R)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-nitrobenzenesulfonamide
CID 165494148
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide
CID 120724358
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-(2-ethylpyrazol-3-yl)-2-fluorobenzamide;hydrochloride
CID 164614857
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
4-(4-bromo-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-difluorobenzamide;hydrochloride
CID 164624412

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride?
The IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride (CID 120724421) is N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride is CCCS(=O)(=O)NC1CNCCC1c1ccc(F)c(F)c1.Cl.
What is the InChIKey of N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride?
The InChIKey is WHGJUNNQGSSHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S.ClH/c1-2-7-21(19,20)18-14-9-17-6-5-11(14)10-3-4-12(15)13(16)8-10;/h3-4,8,11,14,17-18H,2,5-7,9H2,1H3;1H.
What are the key properties of N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride?
N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride has a molecular weight of 354.85 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120724421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).