N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide

C12H16N4O2S — CID 43717561

IUPACN,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccn[nH]2)ccc1C
InChIInChI=1S/C12H16N4O2S/c1-9-3-4-10(7-12(9)19(17,18)13-2)14-8-11-5-6-15-16-11/h3-7,13-14H,8H2,1-2H3,(H,15,16)
InChIKeyUYVAMGAKWIVMBT-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.24
Rot. Bonds5

About N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide

N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide (PubChem CID 43717561) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
PubChem CID43717561
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccn[nH]2)ccc1C
InChIInChI=1S/C12H16N4O2S/c1-9-3-4-10(7-12(9)19(17,18)13-2)14-8-11-5-6-15-16-11/h3-7,13-14H,8H2,1-2H3,(H,15,16)
InChIKeyUYVAMGAKWIVMBT-UHFFFAOYSA-N
XLogP1.24
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 62911967
5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61283363
N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747342
N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
CID 43717495
5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717522
N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 104821897
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662346
5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 66387661
N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 43717517
5-[2-(tert-butylamino)ethylamino]-N,2-dimethylbenzenesulfonamide
CID 107445081
5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717493
N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400218

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide (CID 43717561) is N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide is CNS(=O)(=O)c1cc(NCc2ccn[nH]2)ccc1C.
What is the InChIKey of N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide?
The InChIKey is UYVAMGAKWIVMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-3-4-10(7-12(9)19(17,18)13-2)14-8-11-5-6-15-16-11/h3-7,13-14H,8H2,1-2H3,(H,15,16).
What are the key properties of N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide?
N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 43717561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).