N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide

C21H23N3O2S — CID 113011837

IUPACN-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
SMILESCc1ccc(CNc2ccc(NS(=O)(=O)CCc3ccccc3)cn2)cc1
InChIInChI=1S/C21H23N3O2S/c1-17-7-9-19(10-8-17)15-22-21-12-11-20(16-23-21)24-27(25,26)14-13-18-5-3-2-4-6-18/h2-12,16,24H,13-15H2,1H3,(H,22,23)
InChIKeyDHVHMFWKSHVUTI-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.99
Rot. Bonds8

About N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide

N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide (PubChem CID 113011837) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
PubChem CID113011837
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
SMILESCc1ccc(CNc2ccc(NS(=O)(=O)CCc3ccccc3)cn2)cc1
InChIInChI=1S/C21H23N3O2S/c1-17-7-9-19(10-8-17)15-22-21-12-11-20(16-23-21)24-27(25,26)14-13-18-5-3-2-4-6-18/h2-12,16,24H,13-15H2,1H3,(H,22,23)
InChIKeyDHVHMFWKSHVUTI-UHFFFAOYSA-N
XLogP3.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113010814
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide
CID 113012956
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011825
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide
CID 112982516
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395
N-[6-(2-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018483
N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine
CID 10334318
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113034482

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide (CID 113011837) is N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide is Cc1ccc(CNc2ccc(NS(=O)(=O)CCc3ccccc3)cn2)cc1.
What is the InChIKey of N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide?
The InChIKey is DHVHMFWKSHVUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-17-7-9-19(10-8-17)15-22-21-12-11-20(16-23-21)24-27(25,26)14-13-18-5-3-2-4-6-18/h2-12,16,24H,13-15H2,1H3,(H,22,23).
What are the key properties of N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide?
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113011837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).