N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide

C14H16ClN3O2S — CID 113018556

IUPACN-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C14H16ClN3O2S/c1-2-8-21(19,20)18-13-6-7-14(16-10-13)17-12-5-3-4-11(15)9-12/h3-7,9-10,18H,2,8H2,1H3,(H,16,17)
InChIKeyUEINKGGZKQAMLB-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.63
Rot. Bonds6

About N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide

N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide (PubChem CID 113018556) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
PubChem CID113018556
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C14H16ClN3O2S/c1-2-8-21(19,20)18-13-6-7-14(16-10-13)17-12-5-3-4-11(15)9-12/h3-7,9-10,18H,2,8H2,1H3,(H,16,17)
InChIKeyUEINKGGZKQAMLB-UHFFFAOYSA-N
XLogP3.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018574
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide
CID 113020236
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113018948
N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113023261
N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
CID 112986998
N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113018565
3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016313
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide
CID 113015866
N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113019129
N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018038

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide (CID 113018556) is N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2cccc(Cl)c2)nc1.
What is the InChIKey of N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide?
The InChIKey is UEINKGGZKQAMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-2-8-21(19,20)18-13-6-7-14(16-10-13)17-12-5-3-4-11(15)9-12/h3-7,9-10,18H,2,8H2,1H3,(H,16,17).
What are the key properties of N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide?
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113018556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).