N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide

C18H17N3O2S — CID 2738468

IUPACN,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C18H17N3O2S/c22-24(23,18-10-2-1-3-11-18)21(14-16-8-4-6-12-19-16)15-17-9-5-7-13-20-17/h1-13H,14-15H2
InChIKeyWMRASZZKCDJDLV-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.87
Rot. Bonds6

About N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide

N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 2738468) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID2738468
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C18H17N3O2S/c22-24(23,18-10-2-1-3-11-18)21(14-16-8-4-6-12-19-16)15-17-9-5-7-13-20-17/h1-13H,14-15H2
InChIKeyWMRASZZKCDJDLV-UHFFFAOYSA-N
XLogP2.87
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-3-Pyridylbenzenesulfonamide
CID 339079
N-(pyridin-4-yl)benzenesulfonamide
CID 669138
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
Picoperidamine
CID 65701
1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
Phenyl 2-pyridylmethyl sulfone
CID 3321062
1-[(4-Methylphenyl)sulfonyl]-4-(pyridin-3-ylmethyl)piperazine
CID 873509
2-[3-[1-(Benzenesulfonyl)piperidin-4-ylidene]prop-1-ynyl]-6-methylpyridine
CID 57574904
2-Phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine
CID 58211074

Frequently Asked Questions

What is the IUPAC name of N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide (CID 2738468) is N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is WMRASZZKCDJDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-24(23,18-10-2-1-3-11-18)21(14-16-8-4-6-12-19-16)15-17-9-5-7-13-20-17/h1-13H,14-15H2.
What are the key properties of N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2738468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).