N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide

C17H22FN3O2S — CID 112806919

IUPACN-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide
SMILESCc1ccc(CNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)cc1F
InChIInChI=1S/C17H22FN3O2S/c1-12-5-6-13(9-15(12)18)10-19-16-8-7-14(11-20-16)24(22,23)21-17(2,3)4/h5-9,11,21H,10H2,1-4H3,(H,19,20)
InChIKeyBYHVSNAJUYBXQM-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.22
Rot. Bonds5

About N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide

N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide (PubChem CID 112806919) has the molecular formula C17H22FN3O2S and a molecular weight of 351.45 g/mol. Its IUPAC name is N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide
PubChem CID112806919
Molecular FormulaC17H22FN3O2S
Molecular Weight351.45 g/mol
Exact Mass351.14
IUPAC NameN-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide
SMILESCc1ccc(CNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)cc1F
InChIInChI=1S/C17H22FN3O2S/c1-12-5-6-13(9-15(12)18)10-19-16-8-7-14(11-20-16)24(22,23)21-17(2,3)4/h5-9,11,21H,10H2,1-4H3,(H,19,20)
InChIKeyBYHVSNAJUYBXQM-UHFFFAOYSA-N
XLogP3.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304263
N-methyl-6-(naphthalen-2-ylmethylamino)pyridine-3-sulfonamide
CID 133299071
6-[(3-bromo-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 154860347
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 3315110
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 63644519
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61215673
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364
4-[(tert-butylamino)methyl]-N-[(3,4-difluorophenyl)methyl]benzenesulfonamide
CID 59768398
N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide
CID 98018239
5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 511956
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823083
N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113011508

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide (CID 112806919) is N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide is Cc1ccc(CNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)cc1F.
What is the InChIKey of N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide?
The InChIKey is BYHVSNAJUYBXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2S/c1-12-5-6-13(9-15(12)18)10-19-16-8-7-14(11-20-16)24(22,23)21-17(2,3)4/h5-9,11,21H,10H2,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide?
N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide has a molecular weight of 351.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[(3-fluoro-4-methylphenyl)methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 112806919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).