5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide

C14H16ClN3O2S — CID 64608514

IUPAC5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-3-18(11-7-5-4-6-8-11)21(19,20)12-9-13(15)14(16-2)17-10-12/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyYLPXFLSEEJICEP-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.99
Rot. Bonds5

About 5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide

5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide (PubChem CID 64608514) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide
PubChem CID64608514
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-3-18(11-7-5-4-6-8-11)21(19,20)12-9-13(15)14(16-2)17-10-12/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyYLPXFLSEEJICEP-UHFFFAOYSA-N
XLogP2.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64607736
5-chloro-6-(ethylamino)-N-methyl-N-phenylpyridine-3-sulfonamide
CID 64606805
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64601910
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 102996715
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268362
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64607730
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
4-chloro-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
CID 5019418

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide (CID 64608514) is 5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cnc(NC)c(Cl)c1.
What is the InChIKey of 5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide?
The InChIKey is YLPXFLSEEJICEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-3-18(11-7-5-4-6-8-11)21(19,20)12-9-13(15)14(16-2)17-10-12/h4-10H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide?
5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 64608514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).