2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine

C14H18N4O2S — CID 112982956

IUPAC2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2ccccn2)cc1
InChIInChI=1S/C14H18N4O2S/c1-18(2)21(19,20)17-13-8-6-12(7-9-13)16-11-14-5-3-4-10-15-14/h3-10,16-17H,11H2,1-2H3
InChIKeyXTCHGXPPHJMOTH-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.91
Rot. Bonds6

About 2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine

2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine (PubChem CID 112982956) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
PubChem CID112982956
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(NCc2ccccn2)cc1
InChIInChI=1S/C14H18N4O2S/c1-18(2)21(19,20)17-13-8-6-12(7-9-13)16-11-14-5-3-4-10-15-14/h3-10,16-17H,11H2,1-2H3
InChIKeyXTCHGXPPHJMOTH-UHFFFAOYSA-N
XLogP1.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982965
3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112983066
2-methoxy-N,N-dimethyl-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 167886085
N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 58896333
N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide
CID 113027696
2-methoxy-4,5-dimethyl-N-[4-(pyridin-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112982979
4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline
CID 101246794
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
CID 43730278
N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112982966
1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene
CID 112982610
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
2-phenoxy-N-[4-(pyridin-2-ylmethylamino)phenyl]acetamide
CID 112982924

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine?
The IUPAC name of 2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine (CID 112982956) is 2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine.
What is the SMILES notation for 2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine?
The canonical SMILES for 2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine is CN(C)S(=O)(=O)Nc1ccc(NCc2ccccn2)cc1.
What is the InChIKey of 2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine?
The InChIKey is XTCHGXPPHJMOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18(2)21(19,20)17-13-8-6-12(7-9-13)16-11-14-5-3-4-10-15-14/h3-10,16-17H,11H2,1-2H3.
What are the key properties of 2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine?
2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine has a molecular weight of 306.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine is sourced from PubChem (CID 112982956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).