N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide

C17H27ClN2O2S — CID 57015700

IUPACN-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C17H27ClN2O2S/c1-13(2)23(21,22)19-12-14(3)15-7-8-17(16(18)11-15)20-9-5-4-6-10-20/h7-8,11,13-14,19H,4-6,9-10,12H2,1-3H3
InChIKeyUXNKIDIVJINLID-UHFFFAOYSA-N
MW358.94 g/mol
LogP3.76
Rot. Bonds6

About N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide

N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide (PubChem CID 57015700) has the molecular formula C17H27ClN2O2S and a molecular weight of 358.94 g/mol. Its IUPAC name is N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide
PubChem CID57015700
Molecular FormulaC17H27ClN2O2S
Molecular Weight358.94 g/mol
Exact Mass358.15
IUPAC NameN-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C17H27ClN2O2S/c1-13(2)23(21,22)19-12-14(3)15-7-8-17(16(18)11-15)20-9-5-4-6-10-20/h7-8,11,13-14,19H,4-6,9-10,12H2,1-3H3
InChIKeyUXNKIDIVJINLID-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 62908479
1-[2-chloro-4-[4-[2-(3-chloro-4-piperidin-1-ylphenyl)heptan-4-yloxy]heptan-2-yl]phenyl]piperidine
CID 154388269
2-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]benzoic acid
CID 154251085
N-[2-[4-[2-(piperidine-1-carbonyl)-4-pyridinyl]phenyl]propyl]propane-2-sulfonamide
CID 78162027
1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one
CID 154126949
5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide
CID 69404682
(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine
CID 78944491
3-(3-chloro-4-morpholin-4-ylphenyl)butanal
CID 117423190
2-amino-2-(3-chloro-4-pyrrolidin-1-ylphenyl)acetic acid
CID 77128938
2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol
CID 154114930
4-[4-(1-aminoethyl)-2-chlorophenyl]-1-methyl-1,4-diazepan-2-one
CID 102889325
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide (CID 57015700) is N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)c1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide?
The InChIKey is UXNKIDIVJINLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O2S/c1-13(2)23(21,22)19-12-14(3)15-7-8-17(16(18)11-15)20-9-5-4-6-10-20/h7-8,11,13-14,19H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide?
N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide has a molecular weight of 358.94 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-piperidin-1-ylphenyl)propyl]propane-2-sulfonamide is sourced from PubChem (CID 57015700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).