N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

C14H20N4O2S — CID 62064016

IUPACN-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)Cc1cccc(N)c1
InChIInChI=1S/C14H20N4O2S/c1-10-14(11(2)18(4)16-10)21(19,20)17(3)9-12-6-5-7-13(15)8-12/h5-8H,9,15H2,1-4H3
InChIKeyKDGBNORYGJRXDX-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.44
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (PubChem CID 62064016) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
PubChem CID62064016
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)Cc1cccc(N)c1
InChIInChI=1S/C14H20N4O2S/c1-10-14(11(2)18(4)16-10)21(19,20)17(3)9-12-6-5-7-13(15)8-12/h5-8H,9,15H2,1-4H3
InChIKeyKDGBNORYGJRXDX-UHFFFAOYSA-N
XLogP1.44
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 62061376
3-amino-N-[(3-fluorophenyl)methyl]-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358201
N-[(3-aminophenyl)methyl]-4-chloro-N,1-dimethylpyrazole-5-sulfonamide
CID 106313731
N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 110705697
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929716
N-(2-aminoethyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 120584267
5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 4984513
1-(3-aminophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
CID 79223738
N,1,3,5-tetramethyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 20855724
N-(1H-imidazol-2-ylmethyl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 64519581
N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 55434480
1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene
CID 114804340

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (CID 62064016) is N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(C)Cc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The InChIKey is KDGBNORYGJRXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-14(11(2)18(4)16-10)21(19,20)17(3)9-12-6-5-7-13(15)8-12/h5-8H,9,15H2,1-4H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is sourced from PubChem (CID 62064016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).