N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide

C18H21N5O2S — CID 155342974

IUPACN-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnc(NC(C)c2ccccc2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C18H21N5O2S/c1-13(14-7-5-4-6-8-14)22-18-16(17-11-23(3)12-21-17)9-15(10-20-18)26(24,25)19-2/h4-13,19H,1-3H3,(H,20,22)
InChIKeyXODVDJOBVMAQQP-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.56
Rot. Bonds6

About N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide

N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide (PubChem CID 155342974) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide
PubChem CID155342974
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnc(NC(C)c2ccccc2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C18H21N5O2S/c1-13(14-7-5-4-6-8-14)22-18-16(17-11-23(3)12-21-17)9-15(10-20-18)26(24,25)19-2/h4-13,19H,1-3H3,(H,20,22)
InChIKeyXODVDJOBVMAQQP-UHFFFAOYSA-N
XLogP2.56
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1S)-1-phenylethyl]amino]benzenesulfonamide
CID 155342787
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 163393358
N-methyl-3-(1-methylimidazol-4-yl)-4-[(4-methylphenyl)methyl]benzenesulfonamide
CID 163534192
N-methyl-3-(1-methylimidazol-4-yl)-4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]benzenesulfonamide
CID 155343068
N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
CID 155342881
3,5-dinitro-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 91983831
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-(trifluoromethylsulfanyl)phenyl]methyl]benzenesulfonamide
CID 158234105
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide
CID 97231398
6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide
CID 133299268
1-(4-tert-butylphenyl)-N-methyl-3-(1-methylimidazol-4-yl)indole-5-sulfonamide
CID 171514607
4-[[(1E,3Z)-1,4-diamino-5,5,5-trifluoropenta-1,3-dienyl]amino]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
CID 155366734

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide (CID 155342974) is N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide is CNS(=O)(=O)c1cnc(NC(C)c2ccccc2)c(-c2cn(C)cn2)c1.
What is the InChIKey of N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide?
The InChIKey is XODVDJOBVMAQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-13(14-7-5-4-6-8-14)22-18-16(17-11-23(3)12-21-17)9-15(10-20-18)26(24,25)19-2/h4-13,19H,1-3H3,(H,20,22).
What are the key properties of N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide?
N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide has a molecular weight of 371.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1-methylimidazol-4-yl)-6-(1-phenylethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 155342974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).