6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide

C21H21N3O3S — CID 5268432

IUPAC6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc(C(C)=O)cc2)nc1
InChIInChI=1S/C21H21N3O3S/c1-3-24(19-7-5-4-6-8-19)28(26,27)20-13-14-21(22-15-20)23-18-11-9-17(10-12-18)16(2)25/h4-15H,3H2,1-2H3,(H,22,23)
InChIKeyGKOYWYUEBYEUIS-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.24
Rot. Bonds7

About 6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide

6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 5268432) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
PubChem CID5268432
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc(C(C)=O)cc2)nc1
InChIInChI=1S/C21H21N3O3S/c1-3-24(19-7-5-4-6-8-19)28(26,27)20-13-14-21(22-15-20)23-18-11-9-17(10-12-18)16(2)25/h4-15H,3H2,1-2H3,(H,22,23)
InChIKeyGKOYWYUEBYEUIS-UHFFFAOYSA-N
XLogP4.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 24794406
CID 24794406
CID 239794
CID 239794
CID 5329827
CID 5329827
CID 5330830
CID 5330830
CID 5330832
CID 5330832
CID 1084460
CID 1084460
CID 215925
CID 215925
CID 5330833
CID 5330833
CID 5330834
CID 5330834
CID 16031255
CID 16031255
CID 715270
CID 715270
CID 1118209
CID 1118209

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide (CID 5268432) is 6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccc(C(C)=O)cc2)nc1.
What is the InChIKey of 6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is GKOYWYUEBYEUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-3-24(19-7-5-4-6-8-19)28(26,27)20-13-14-21(22-15-20)23-18-11-9-17(10-12-18)16(2)25/h4-15H,3H2,1-2H3,(H,22,23).
What are the key properties of 6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide?
6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 395.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 5268432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).