6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide

C15H17N3O3S — CID 5267682

IUPAC6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide
SMILESCC(=O)c1ccc(Nc2ccc(S(=O)(=O)N(C)C)cn2)cc1
InChIInChI=1S/C15H17N3O3S/c1-11(19)12-4-6-13(7-5-12)17-15-9-8-14(10-16-15)22(20,21)18(2)3/h4-10H,1-3H3,(H,16,17)
InChIKeyBZWYXZDMRHWIEW-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.28
Rot. Bonds5

About 6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide

6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 5267682) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID5267682
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide
SMILESCC(=O)c1ccc(Nc2ccc(S(=O)(=O)N(C)C)cn2)cc1
InChIInChI=1S/C15H17N3O3S/c1-11(19)12-4-6-13(7-5-12)17-15-9-8-14(10-16-15)22(20,21)18(2)3/h4-10H,1-3H3,(H,16,17)
InChIKeyBZWYXZDMRHWIEW-UHFFFAOYSA-N
XLogP2.28
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267681
4-acetylbenzenesulfonyl chloride;4-acetyl-N,N-dimethylbenzenesulfonamide
CID 87987593
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113020457
6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 5267884
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
CID 103340909
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide
CID 113030001
6-(4-acetylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154486
6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103623850
N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide
CID 5267715
N,N-diethyl-6-(4-fluoroanilino)pyridine-3-sulfonamide
CID 5267789
N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide
CID 5267788

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide (CID 5267682) is 6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide is CC(=O)c1ccc(Nc2ccc(S(=O)(=O)N(C)C)cn2)cc1.
What is the InChIKey of 6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is BZWYXZDMRHWIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-11(19)12-4-6-13(7-5-12)17-15-9-8-14(10-16-15)22(20,21)18(2)3/h4-10H,1-3H3,(H,16,17).
What are the key properties of 6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide?
6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 319.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 5267682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).