1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide

C16H23Cl2N3O3S — CID 131909787

IUPAC1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide
SMILESCc1c(Cl)ccc(S(=O)(=O)NCCCN2CCCC(C(N)=O)C2)c1Cl
InChIInChI=1S/C16H23Cl2N3O3S/c1-11-13(17)5-6-14(15(11)18)25(23,24)20-7-3-9-21-8-2-4-12(10-21)16(19)22/h5-6,12,20H,2-4,7-10H2,1H3,(H2,19,22)
InChIKeyIPJYGWJXLIQSQC-UHFFFAOYSA-N
MW408.35 g/mol
LogP2.17
Rot. Bonds7

About 1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide

1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide (PubChem CID 131909787) has the molecular formula C16H23Cl2N3O3S and a molecular weight of 408.35 g/mol. Its IUPAC name is 1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide
PubChem CID131909787
Molecular FormulaC16H23Cl2N3O3S
Molecular Weight408.35 g/mol
Exact Mass407.08
IUPAC Name1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide
SMILESCc1c(Cl)ccc(S(=O)(=O)NCCCN2CCCC(C(N)=O)C2)c1Cl
InChIInChI=1S/C16H23Cl2N3O3S/c1-11-13(17)5-6-14(15(11)18)25(23,24)20-7-3-9-21-8-2-4-12(10-21)16(19)22/h5-6,12,20H,2-4,7-10H2,1H3,(H2,19,22)
InChIKeyIPJYGWJXLIQSQC-UHFFFAOYSA-N
XLogP2.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
(3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide
CID 95155929
(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
CID 99785633
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide
CID 56547862
(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 97445320
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
(3R)-1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide
CID 97143743
1-[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]propyl]piperidine-3-carboxamide
CID 72913557
1-[3-[(5-chloro-3-fluoro-2-pyridinyl)amino]propyl]piperidine-3-carboxamide
CID 134697105
1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide
CID 70718129
1-[3-[[N-ethyl-N'-[(5-methylthiophen-2-yl)methyl]carbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111898407

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide (CID 131909787) is 1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide is Cc1c(Cl)ccc(S(=O)(=O)NCCCN2CCCC(C(N)=O)C2)c1Cl.
What is the InChIKey of 1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide?
The InChIKey is IPJYGWJXLIQSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O3S/c1-11-13(17)5-6-14(15(11)18)25(23,24)20-7-3-9-21-8-2-4-12(10-21)16(19)22/h5-6,12,20H,2-4,7-10H2,1H3,(H2,19,22).
What are the key properties of 1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide?
1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide has a molecular weight of 408.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 131909787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).