N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide

C15H19N3O2S — CID 60904200

IUPACN,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCCc1ccncc1
InChIInChI=1S/C15H19N3O2S/c1-18(2)21(19,20)15-6-4-3-5-14(15)17-12-9-13-7-10-16-11-8-13/h3-8,10-11,17H,9,12H2,1-2H3
InChIKeyGSUSYHASXDVRFF-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.99
Rot. Bonds6

About N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide

N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide (PubChem CID 60904200) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
PubChem CID60904200
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCCc1ccncc1
InChIInChI=1S/C15H19N3O2S/c1-18(2)21(19,20)15-6-4-3-5-14(15)17-12-9-13-7-10-16-11-8-13/h3-8,10-11,17H,9,12H2,1-2H3
InChIKeyGSUSYHASXDVRFF-UHFFFAOYSA-N
XLogP1.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline
CID 60904511
N,N-dimethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60721671
2-(ethylamino)-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 62147752
2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
CID 61326146
N,N-dimethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 63330452
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline
CID 107644727
2-methylsulfonyl-N-(2-phenylethyl)aniline
CID 43388007
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427
2-(2-cyclopentylethylamino)-N,N-dimethylbenzenesulfonamide
CID 60920166

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide (CID 60904200) is N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1NCCc1ccncc1.
What is the InChIKey of N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide?
The InChIKey is GSUSYHASXDVRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(2)21(19,20)15-6-4-3-5-14(15)17-12-9-13-7-10-16-11-8-13/h3-8,10-11,17H,9,12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide?
N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 60904200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).