3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide

C19H19N3O2S — CID 112983095

IUPAC3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NCc3cccnc3)cc2)c1
InChIInChI=1S/C19H19N3O2S/c1-15-4-2-6-19(12-15)25(23,24)22-18-9-7-17(8-10-18)21-14-16-5-3-11-20-13-16/h2-13,21-22H,14H2,1H3
InChIKeyPLGKTFVURRAYBK-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.80
Rot. Bonds6

About 3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide

3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide (PubChem CID 112983095) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
PubChem CID112983095
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(NCc3cccnc3)cc2)c1
InChIInChI=1S/C19H19N3O2S/c1-15-4-2-6-19(12-15)25(23,24)22-18-9-7-17(8-10-18)21-14-16-5-3-11-20-13-16/h2-13,21-22H,14H2,1H3
InChIKeyPLGKTFVURRAYBK-UHFFFAOYSA-N
XLogP3.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983096
N-[4-(pyridin-3-ylmethylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112983088
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982764
N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43454156
4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983082
3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112983066
4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982120
N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43425856
3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 47088040
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113041051
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide (CID 112983095) is 3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(NCc3cccnc3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide?
The InChIKey is PLGKTFVURRAYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-15-4-2-6-19(12-15)25(23,24)22-18-9-7-17(8-10-18)21-14-16-5-3-11-20-13-16/h2-13,21-22H,14H2,1H3.
What are the key properties of 3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide?
3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112983095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).