2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide

C14H14Cl2N2O2S — CID 61051592

IUPAC2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccnc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-2-13(10-4-3-5-11(15)8-10)18-21(19,20)12-6-7-17-14(16)9-12/h3-9,13,18H,2H2,1H3
InChIKeySTVDDMIRPHDPPM-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.82
Rot. Bonds5

About 2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide

2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide (PubChem CID 61051592) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide
PubChem CID61051592
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccnc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-2-13(10-4-3-5-11(15)8-10)18-21(19,20)12-6-7-17-14(16)9-12/h3-9,13,18H,2H2,1H3
InChIKeySTVDDMIRPHDPPM-UHFFFAOYSA-N
XLogP3.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide
CID 61052003
N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide
CID 102692460
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
CID 107856823
3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 18271278
2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
CID 54950253
2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide
CID 62304235
2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide
CID 61051398
2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
CID 54895920
2-chloro-N-octan-4-ylpyridine-4-sulfonamide
CID 114138590
methyl 2-[(2-chloro-4-pyridinyl)sulfonylamino]-3-methylpentanoate
CID 61046444
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide (CID 61051592) is 2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide is CCC(NS(=O)(=O)c1ccnc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide?
The InChIKey is STVDDMIRPHDPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-2-13(10-4-3-5-11(15)8-10)18-21(19,20)12-6-7-17-14(16)9-12/h3-9,13,18H,2H2,1H3.
What are the key properties of 2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide?
2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide is sourced from PubChem (CID 61051592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).