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

C12H16N4O2S — CID 102692415

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C12H16N4O2S/c1-16(2)11-5-3-10(4-6-11)9-14-19(17,18)12-7-8-13-15-12/h3-8,14H,9H2,1-2H3,(H,13,15)
InChIKeyBHWIEFFCMDOXPV-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.95
Rot. Bonds5

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

N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692415) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692415
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C12H16N4O2S/c1-16(2)11-5-3-10(4-6-11)9-14-19(17,18)12-7-8-13-15-12/h3-8,14H,9H2,1-2H3,(H,13,15)
InChIKeyBHWIEFFCMDOXPV-UHFFFAOYSA-N
XLogP0.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide (CID 102692415) is N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide is CN(C)c1ccc(CNS(=O)(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is BHWIEFFCMDOXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16(2)11-5-3-10(4-6-11)9-14-19(17,18)12-7-8-13-15-12/h3-8,14H,9H2,1-2H3,(H,13,15).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide?
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).