2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide

C11H15N5O2S — CID 80645593

IUPAC2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2cn[nH]c2)cc1N
InChIInChI=1S/C11H15N5O2S/c1-13-19(17,18)11-3-2-9(4-10(11)12)14-5-8-6-15-16-7-8/h2-4,6-7,13-14H,5,12H2,1H3,(H,15,16)
InChIKeyGGZBQMHXIALTOL-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.51
Rot. Bonds5

About 2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide

2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide (PubChem CID 80645593) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
PubChem CID80645593
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2cn[nH]c2)cc1N
InChIInChI=1S/C11H15N5O2S/c1-13-19(17,18)11-3-2-9(4-10(11)12)14-5-8-6-15-16-7-8/h2-4,6-7,13-14H,5,12H2,1H3,(H,15,16)
InChIKeyGGZBQMHXIALTOL-UHFFFAOYSA-N
XLogP0.51
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 80645584
2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide
CID 80646512
2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
CID 80645661
2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 80646286
2-amino-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 80646018
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-amino-N-methyl-4-[(4-methylthiophen-3-yl)methylamino]benzenesulfonamide
CID 80646024
2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide
CID 80641958
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
CID 83202387
2-amino-4-(4-methoxybutylamino)-N-methylbenzenesulfonamide
CID 80646158
N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine
CID 62022596

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide (CID 80645593) is 2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2cn[nH]c2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide?
The InChIKey is GGZBQMHXIALTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-13-19(17,18)11-3-2-9(4-10(11)12)14-5-8-6-15-16-7-8/h2-4,6-7,13-14H,5,12H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide?
2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 80645593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).