1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide

C16H24Cl2N2O2S — CID 56514188

IUPAC1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide
SMILESCC1CCCN(C(C)CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H24Cl2N2O2S/c1-12-4-3-7-20(10-12)13(2)9-19-23(21,22)11-14-5-6-15(17)16(18)8-14/h5-6,8,12-13,19H,3-4,7,9-11H2,1-2H3
InChIKeySCIZKGKURIVWLK-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.53
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide (PubChem CID 56514188) has the molecular formula C16H24Cl2N2O2S and a molecular weight of 379.35 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide
PubChem CID56514188
Molecular FormulaC16H24Cl2N2O2S
Molecular Weight379.35 g/mol
Exact Mass378.09
IUPAC Name1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide
SMILESCC1CCCN(C(C)CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H24Cl2N2O2S/c1-12-4-3-7-20(10-12)13(2)9-19-23(21,22)11-14-5-6-15(17)16(18)8-14/h5-6,8,12-13,19H,3-4,7,9-11H2,1-2H3
InChIKeySCIZKGKURIVWLK-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-1-(4-nitrophenyl)methanesulfonamide
CID 52504590
N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine
CID 97352590
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
CID 94061348
N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide
CID 94024918
1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 55721464
1-(2,6-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 55721126
[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 46778189
1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
CID 99115120
1-(3,4-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
CID 120664609
2-chloro-4-fluoro-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 98720791
2-chloro-4-fluoro-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036175
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55840001

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide (CID 56514188) is 1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide is CC1CCCN(C(C)CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide?
The InChIKey is SCIZKGKURIVWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O2S/c1-12-4-3-7-20(10-12)13(2)9-19-23(21,22)11-14-5-6-15(17)16(18)8-14/h5-6,8,12-13,19H,3-4,7,9-11H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide has a molecular weight of 379.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[2-(3-methylpiperidin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 56514188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).