5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide

C14H20N4O2S — CID 104617001

IUPAC5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C14H20N4O2S/c1-9-5-6-10(15)7-11(9)21(19,20)18-13-8-12(16-17-13)14(2,3)4/h5-8H,15H2,1-4H3,(H2,16,17,18)
InChIKeyPVFZBXVPQSFFHL-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.40
Rot. Bonds3

About 5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide

5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide (PubChem CID 104617001) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
PubChem CID104617001
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C14H20N4O2S/c1-9-5-6-10(15)7-11(9)21(19,20)18-13-8-12(16-17-13)14(2,3)4/h5-8H,15H2,1-4H3,(H2,16,17,18)
InChIKeyPVFZBXVPQSFFHL-UHFFFAOYSA-N
XLogP2.40
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616990
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
CID 104616977
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 104616984
5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 115687613
N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide
CID 3607226
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616923

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide (CID 104617001) is 5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide?
The InChIKey is PVFZBXVPQSFFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-9-5-6-10(15)7-11(9)21(19,20)18-13-8-12(16-17-13)14(2,3)4/h5-8H,15H2,1-4H3,(H2,16,17,18).
What are the key properties of 5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide?
5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 104617001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).