2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide

C12H16N4O2S — CID 43663260

IUPAC2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
SMILESCc1ccc(NCc2ccnn2C)cc1S(N)(=O)=O
InChIInChI=1S/C12H16N4O2S/c1-9-3-4-10(7-12(9)19(13,17)18)14-8-11-5-6-15-16(11)2/h3-7,14H,8H2,1-2H3,(H2,13,17,18)
InChIKeyGQBFIZADJNZDTO-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.99
Rot. Bonds4

About 2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide

2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide (PubChem CID 43663260) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
PubChem CID43663260
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
SMILESCc1ccc(NCc2ccnn2C)cc1S(N)(=O)=O
InChIInChI=1S/C12H16N4O2S/c1-9-3-4-10(7-12(9)19(13,17)18)14-8-11-5-6-15-16(11)2/h3-7,14H,8H2,1-2H3,(H2,13,17,18)
InChIKeyGQBFIZADJNZDTO-UHFFFAOYSA-N
XLogP0.99
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline
CID 75518388
5-amino-2-methyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 79896397
3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619241
2-hydroxy-4-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624610
2-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]benzenesulfonamide
CID 66129478
3,4-dimethoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619255
2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol
CID 43743858
N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43715592
2-bromo-4-[(2-methylpyrazol-3-yl)methylamino]benzenecarbothioamide
CID 107277802
2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663220
N-[(2-methylpyrazol-3-yl)methyl]pyridin-4-amine
CID 63302069
2-bromo-4-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 107276357

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide?
The IUPAC name of 2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide (CID 43663260) is 2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide is Cc1ccc(NCc2ccnn2C)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide?
The InChIKey is GQBFIZADJNZDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-3-4-10(7-12(9)19(13,17)18)14-8-11-5-6-15-16(11)2/h3-7,14H,8H2,1-2H3,(H2,13,17,18).
What are the key properties of 2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide?
2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 43663260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).