N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide

C14H17N3O2S — CID 43425856

IUPACN,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCc2cccnc2)c1
InChIInChI=1S/C14H17N3O2S/c1-17(2)20(18,19)14-7-3-6-13(9-14)16-11-12-5-4-8-15-10-12/h3-10,16H,11H2,1-2H3
InChIKeyKSLTZZSLSYULMO-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.94
Rot. Bonds5

About N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide

N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide (PubChem CID 43425856) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
PubChem CID43425856
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCc2cccnc2)c1
InChIInChI=1S/C14H17N3O2S/c1-17(2)20(18,19)14-7-3-6-13(9-14)16-11-12-5-4-8-15-10-12/h3-10,16H,11H2,1-2H3
InChIKeyKSLTZZSLSYULMO-UHFFFAOYSA-N
XLogP1.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112983066
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43715592
3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 66414740
3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43715556
3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983095
3-methylsulfonyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62758794
3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43232434
N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline
CID 43732990
3-[6-chloro-2-methyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 134138026
3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377275
4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 6503109

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide (CID 43425856) is N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NCc2cccnc2)c1.
What is the InChIKey of N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide?
The InChIKey is KSLTZZSLSYULMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-17(2)20(18,19)14-7-3-6-13(9-14)16-11-12-5-4-8-15-10-12/h3-10,16H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide?
N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 43425856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).