5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide

C11H15N5O2S — CID 106759379

IUPAC5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCN(C)c1ccccc1NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H15N5O2S/c1-16(2)9-6-4-3-5-8(9)15-19(17,18)10-7-13-14-11(10)12/h3-7,15H,1-2H3,(H3,12,13,14)
InChIKeyKKGDBBCEINGGRT-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.86
Rot. Bonds4

About 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106759379) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID106759379
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCN(C)c1ccccc1NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H15N5O2S/c1-16(2)9-6-4-3-5-8(9)15-19(17,18)10-7-13-14-11(10)12/h3-7,15H,1-2H3,(H3,12,13,14)
InChIKeyKKGDBBCEINGGRT-UHFFFAOYSA-N
XLogP0.86
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922893
5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 61076416
N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 63903277
5-amino-N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 106759348
5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 106760594
5-amino-N-(2,6-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 65468674
5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
CID 107596356
5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922704
N-[2-(dimethylamino)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 63903278
5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide
CID 61126088
5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide
CID 61112730

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide (CID 106759379) is 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide is CN(C)c1ccccc1NS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is KKGDBBCEINGGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-16(2)9-6-4-3-5-8(9)15-19(17,18)10-7-13-14-11(10)12/h3-7,15H,1-2H3,(H3,12,13,14).
What are the key properties of 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106759379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).