2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide

C19H22N4O2S — CID 86777004

IUPAC2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide
SMILESCc1cc(C)n(Cc2cccc(CNS(=O)(=O)c3ccccc3N)c2)n1
InChIInChI=1S/C19H22N4O2S/c1-14-10-15(2)23(22-14)13-17-7-5-6-16(11-17)12-21-26(24,25)19-9-4-3-8-18(19)20/h3-11,21H,12-13,20H2,1-2H3
InChIKeyCCCJCGAZRGSTBS-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.61
Rot. Bonds6

About 2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide

2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide (PubChem CID 86777004) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide
PubChem CID86777004
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide
SMILESCc1cc(C)n(Cc2cccc(CNS(=O)(=O)c3ccccc3N)c2)n1
InChIInChI=1S/C19H22N4O2S/c1-14-10-15(2)23(22-14)13-17-7-5-6-16(11-17)12-21-26(24,25)19-9-4-3-8-18(19)20/h3-11,21H,12-13,20H2,1-2H3
InChIKeyCCCJCGAZRGSTBS-UHFFFAOYSA-N
XLogP2.61
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide (CID 86777004) is 2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide is Cc1cc(C)n(Cc2cccc(CNS(=O)(=O)c3ccccc3N)c2)n1.
What is the InChIKey of 2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is CCCJCGAZRGSTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-10-15(2)23(22-14)13-17-7-5-6-16(11-17)12-21-26(24,25)19-9-4-3-8-18(19)20/h3-11,21H,12-13,20H2,1-2H3.
What are the key properties of 2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 86777004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).