2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide

C12H17N5O2S — CID 80645661

IUPAC2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2cn[nH]c2C)cc1N
InChIInChI=1S/C12H17N5O2S/c1-8-9(7-16-17-8)6-15-10-3-4-12(11(13)5-10)20(18,19)14-2/h3-5,7,14-15H,6,13H2,1-2H3,(H,16,17)
InChIKeyWUONUVMRKRHOCP-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.82
Rot. Bonds5

About 2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide

2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide (PubChem CID 80645661) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
PubChem CID80645661
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2cn[nH]c2C)cc1N
InChIInChI=1S/C12H17N5O2S/c1-8-9(7-16-17-8)6-15-10-3-4-12(11(13)5-10)20(18,19)14-2/h3-5,7,14-15H,6,13H2,1-2H3,(H,16,17)
InChIKeyWUONUVMRKRHOCP-UHFFFAOYSA-N
XLogP0.82
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.82
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-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
CID 80645593
2-amino-N-methyl-4-[(4-methylthiophen-3-yl)methylamino]benzenesulfonamide
CID 80646024
2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide
CID 80646512
2-amino-4-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 64899567
5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole
CID 43742059
[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745275
2-amino-N-methyl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 80645584
2-ethoxy-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63675675
4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002244
3-iodo-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43716345
2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 80646286
3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
CID 54982423

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide (CID 80645661) is 2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2cn[nH]c2C)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide?
The InChIKey is WUONUVMRKRHOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-8-9(7-16-17-8)6-15-10-3-4-12(11(13)5-10)20(18,19)14-2/h3-5,7,14-15H,6,13H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide?
2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.82, 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-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 80645661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).