4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide

C22H26N4O3S — CID 55498792

IUPAC4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n1
InChIInChI=1S/C22H26N4O3S/c1-22(2,3)18-9-11-19(12-10-18)30(28,29)23-15-16-5-7-17(8-6-16)21(27)24-20-13-14-26(4)25-20/h5-14,23H,15H2,1-4H3,(H,24,25,27)
InChIKeyXDKNYGNXDLQLHQ-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.45
Rot. Bonds6

About 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide

4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 55498792) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID55498792
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n1
InChIInChI=1S/C22H26N4O3S/c1-22(2,3)18-9-11-19(12-10-18)30(28,29)23-15-16-5-7-17(8-6-16)21(27)24-20-13-14-26(4)25-20/h5-14,23H,15H2,1-4H3,(H,24,25,27)
InChIKeyXDKNYGNXDLQLHQ-UHFFFAOYSA-N
XLogP3.45
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 17424041
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-methoxybenzamide
CID 17439202
N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide
CID 35799986
N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide
CID 54888919
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide
CID 50913581
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
CID 9150177
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1300203
4-tert-butyl-N-[[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]methyl]benzenesulfonamide
CID 42452992
4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60823882
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55843166
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55854236

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide (CID 55498792) is 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n1.
What is the InChIKey of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is XDKNYGNXDLQLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-22(2,3)18-9-11-19(12-10-18)30(28,29)23-15-16-5-7-17(8-6-16)21(27)24-20-13-14-26(4)25-20/h5-14,23H,15H2,1-4H3,(H,24,25,27).
What are the key properties of 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide?
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 426.54 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 55498792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).