4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide

C19H19N3O2S — CID 1147309

IUPAC4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CNc2ccccn2)cc1
InChIInChI=1S/C19H19N3O2S/c1-15-9-11-17(12-10-15)25(23,24)22-18-7-3-2-6-16(18)14-21-19-8-4-5-13-20-19/h2-13,22H,14H2,1H3,(H,20,21)
InChIKeyDYRRTGFKVDHTIM-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.80
Rot. Bonds6

About 4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide

4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide (PubChem CID 1147309) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide
PubChem CID1147309
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CNc2ccccn2)cc1
InChIInChI=1S/C19H19N3O2S/c1-15-9-11-17(12-10-15)25(23,24)22-18-7-3-2-6-16(18)14-21-19-8-4-5-13-20-19/h2-13,22H,14H2,1H3,(H,20,21)
InChIKeyDYRRTGFKVDHTIM-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide (CID 1147309) is 4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2ccccn2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide?
The InChIKey is DYRRTGFKVDHTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-15-9-11-17(12-10-15)25(23,24)22-18-7-3-2-6-16(18)14-21-19-8-4-5-13-20-19/h2-13,22H,14H2,1H3,(H,20,21).
What are the key properties of 4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide?
4-methyl-N-[2-[(pyridin-2-ylamino)methyl]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 4-methyl-N-[2-[(pyridin-2-ylamino)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 1147309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).