N-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide

C11H14N4O2S — CID 79779613

IUPACN-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Nc1ccn(C)n1
InChIInChI=1S/C11H14N4O2S/c1-12-18(16,17)10-6-4-3-5-9(10)13-11-7-8-15(2)14-11/h3-8,12H,1-2H3,(H,13,14)
InChIKeyGZQNYXIVVPPFLV-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.07
Rot. Bonds4

About N-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide

N-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide (PubChem CID 79779613) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide
PubChem CID79779613
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Nc1ccn(C)n1
InChIInChI=1S/C11H14N4O2S/c1-12-18(16,17)10-6-4-3-5-9(10)13-11-7-8-15(2)14-11/h3-8,12H,1-2H3,(H,13,14)
InChIKeyGZQNYXIVVPPFLV-UHFFFAOYSA-N
XLogP1.07
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide?
The IUPAC name of N-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide (CID 79779613) is N-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccccc1Nc1ccn(C)n1.
What is the InChIKey of N-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide?
The InChIKey is GZQNYXIVVPPFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-12-18(16,17)10-6-4-3-5-9(10)13-11-7-8-15(2)14-11/h3-8,12H,1-2H3,(H,13,14).
What are the key properties of N-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide?
N-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 79779613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).