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

C11H15N5O2S — CID 54982423

IUPAC3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
SMILESCc1[nH]ncc1CNc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C11H15N5O2S/c1-7-8(6-15-16-7)5-14-11-3-2-9(4-10(11)12)19(13,17)18/h2-4,6,14H,5,12H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyYFIANZIQSKSKNJ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.56
Rot. Bonds4

About 3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide

3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide (PubChem CID 54982423) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
PubChem CID54982423
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
SMILESCc1[nH]ncc1CNc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C11H15N5O2S/c1-7-8(6-15-16-7)5-14-11-3-2-9(4-10(11)12)19(13,17)18/h2-4,6,14H,5,12H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyYFIANZIQSKSKNJ-UHFFFAOYSA-N
XLogP0.56
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.56
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

3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 61285265
3-amino-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61126378
2-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-methylsulfonylaniline
CID 43717698
3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 60857834
2-iodo-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 66093758
6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 54982377
3-amino-4-[(3-methylphenyl)methylamino]benzenesulfonamide
CID 60904104
2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
CID 80645661
5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole
CID 43742059
[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745275
6-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62151905
5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 54982616

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide?
The IUPAC name of 3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide (CID 54982423) is 3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide is Cc1[nH]ncc1CNc1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of 3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide?
The InChIKey is YFIANZIQSKSKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-7-8(6-15-16-7)5-14-11-3-2-9(4-10(11)12)19(13,17)18/h2-4,6,14H,5,12H2,1H3,(H,15,16)(H2,13,17,18).
What are the key properties of 3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide?
3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 54982423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).