N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide

C11H14N4O2S — CID 102690477

IUPACN-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCN(c1ccccc1CN)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H14N4O2S/c1-15(10-5-3-2-4-9(10)8-12)18(16,17)11-6-7-13-14-11/h2-7H,8,12H2,1H3,(H,13,14)
InChIKeyNECOBNLSCJDCAF-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.69
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide

N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide (PubChem CID 102690477) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide
PubChem CID102690477
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCN(c1ccccc1CN)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H14N4O2S/c1-15(10-5-3-2-4-9(10)8-12)18(16,17)11-6-7-13-14-11/h2-7H,8,12H2,1H3,(H,13,14)
InChIKeyNECOBNLSCJDCAF-UHFFFAOYSA-N
XLogP0.69
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693049
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-sulfonamide
CID 102690536
N-[1-(2-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692112
N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide
CID 80690978
N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide
CID 102690421
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691703
N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 102694110
N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691082
N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide
CID 102693863
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690547
N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693435

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide (CID 102690477) is N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide is CN(c1ccccc1CN)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The InChIKey is NECOBNLSCJDCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-15(10-5-3-2-4-9(10)8-12)18(16,17)11-6-7-13-14-11/h2-7H,8,12H2,1H3,(H,13,14).
What are the key properties of N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide?
N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102690477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).