N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide

C23H27N3O4S2 — CID 42951292

IUPACN-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)C(C)c2ccc(S(C)(=O)=O)cc2)nc1
InChIInChI=1S/C23H27N3O4S2/c1-5-26(20-9-7-6-8-10-20)32(29,30)22-15-16-23(24-17-22)25(3)18(2)19-11-13-21(14-12-19)31(4,27)28/h6-18H,5H2,1-4H3
InChIKeyHRVZXMWZGXYLPO-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.90
Rot. Bonds8

About N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide

N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide (PubChem CID 42951292) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide
PubChem CID42951292
Molecular FormulaC23H27N3O4S2
Molecular Weight473.62 g/mol
Exact Mass473.14
IUPAC NameN-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)C(C)c2ccc(S(C)(=O)=O)cc2)nc1
InChIInChI=1S/C23H27N3O4S2/c1-5-26(20-9-7-6-8-10-20)32(29,30)22-15-16-23(24-17-22)25(3)18(2)19-11-13-21(14-12-19)31(4,27)28/h6-18H,5H2,1-4H3
InChIKeyHRVZXMWZGXYLPO-UHFFFAOYSA-N
XLogP3.90
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-[methoxy(methyl)amino]-N-phenylpyridine-3-sulfonamide
CID 9107044
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
N-ethyl-6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-phenylpyridine-3-sulfonamide
CID 26447742
6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 9107729
2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
CID 122060688
ethyl 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetate
CID 9283060
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
N-(2,5-dimethylphenyl)-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide
CID 4816822
6-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55346963
N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 60570329

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide (CID 42951292) is N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)C(C)c2ccc(S(C)(=O)=O)cc2)nc1.
What is the InChIKey of N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide?
The InChIKey is HRVZXMWZGXYLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c1-5-26(20-9-7-6-8-10-20)32(29,30)22-15-16-23(24-17-22)25(3)18(2)19-11-13-21(14-12-19)31(4,27)28/h6-18H,5H2,1-4H3.
What are the key properties of N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide has a molecular weight of 473.62 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 42951292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).