5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide

C13H15N3O2S — CID 82055523

IUPAC5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(N)cn2)cc1
InChIInChI=1S/C13H15N3O2S/c1-10-2-4-11(5-3-10)8-16-19(17,18)13-7-6-12(14)9-15-13/h2-7,9,16H,8,14H2,1H3
InChIKeySKDXSZWNSFUVDU-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.45
Rot. Bonds4

About 5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide

5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide (PubChem CID 82055523) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
PubChem CID82055523
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(N)cn2)cc1
InChIInChI=1S/C13H15N3O2S/c1-10-2-4-11(5-3-10)8-16-19(17,18)13-7-6-12(14)9-15-13/h2-7,9,16H,8,14H2,1H3
InChIKeySKDXSZWNSFUVDU-UHFFFAOYSA-N
XLogP1.45
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-methylpyridine-2-sulfonamide
CID 46201274
2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide
CID 61328911
N-[(4-iodo-3-methylphenyl)methyl]-5-methylpyridine-2-sulfonamide
CID 167825077
4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 60985509
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide
CID 119094857
2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3439524
3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 60813353
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299052
N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide
CID 52905714

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide (CID 82055523) is 5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(N)cn2)cc1.
What is the InChIKey of 5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide?
The InChIKey is SKDXSZWNSFUVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-2-4-11(5-3-10)8-16-19(17,18)13-7-6-12(14)9-15-13/h2-7,9,16H,8,14H2,1H3.
What are the key properties of 5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide?
5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 82055523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).