N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide

C12H17N5O2S — CID 62755629

IUPACN-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCc2cn(C)nn2)cc1
InChIInChI=1S/C12H17N5O2S/c1-3-20(18,19)15-11-6-4-10(5-7-11)13-8-12-9-17(2)16-14-12/h4-7,9,13,15H,3,8H2,1-2H3
InChIKeyFEEUYLBEUDCEBK-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.19
Rot. Bonds6

About N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide

N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide (PubChem CID 62755629) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide
PubChem CID62755629
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCc2cn(C)nn2)cc1
InChIInChI=1S/C12H17N5O2S/c1-3-20(18,19)15-11-6-4-10(5-7-11)13-8-12-9-17(2)16-14-12/h4-7,9,13,15H,3,8H2,1-2H3
InChIKeyFEEUYLBEUDCEBK-UHFFFAOYSA-N
XLogP1.19
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine
CID 62756674
N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757413
2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113606
1-ethyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one
CID 62755967
N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 62756131
N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757581
N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 55113462
N-[2-methyl-5-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113794
3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757929
N-[(1-tert-butyltriazol-4-yl)methyl]-4-iodoaniline
CID 103398664
3,5-dimethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757012
N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide
CID 166208303

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide (CID 62755629) is N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NCc2cn(C)nn2)cc1.
What is the InChIKey of N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide?
The InChIKey is FEEUYLBEUDCEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-20(18,19)15-11-6-4-10(5-7-11)13-8-12-9-17(2)16-14-12/h4-7,9,13,15H,3,8H2,1-2H3.
What are the key properties of N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide?
N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide has a molecular weight of 295.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]ethanesulfonamide is sourced from PubChem (CID 62755629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).