4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide

C19H25N3O3S — CID 51961532

IUPAC4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)cc1
InChIInChI=1S/C19H25N3O3S/c1-13(23)14-8-10-15(11-9-14)26(24,25)21-17-6-5-7-18-16(17)12-20-22(18)19(2,3)4/h8-12,17,21H,5-7H2,1-4H3/t17-/m1/s1
InChIKeyHHFBTWXYZLHGKU-QGZVFWFLSA-N
MW375.49 g/mol
LogP3.20
Rot. Bonds4

About 4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide

4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide (PubChem CID 51961532) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
PubChem CID51961532
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)cc1
InChIInChI=1S/C19H25N3O3S/c1-13(23)14-8-10-15(11-9-14)26(24,25)21-17-6-5-7-18-16(17)12-20-22(18)19(2,3)4/h8-12,17,21H,5-7H2,1-4H3/t17-/m1/s1
InChIKeyHHFBTWXYZLHGKU-QGZVFWFLSA-N
XLogP3.20
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide with MolForge

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Related Compounds

N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide
CID 47954940
4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide
CID 95762906
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[(S)-methylsulfinyl]benzamide
CID 94669043
(2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 95277885
3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide
CID 56731325
2-[acetyl(methyl)amino]-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669068
2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669069
N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide
CID 51124341
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[cyclohexyl(methyl)amino]acetamide
CID 94380801
ethyl 2-[4-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 59152980
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide
CID 34125322
N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 94379747

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide (CID 51961532) is 4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)cc1.
What is the InChIKey of 4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide?
The InChIKey is HHFBTWXYZLHGKU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13(23)14-8-10-15(11-9-14)26(24,25)21-17-6-5-7-18-16(17)12-20-22(18)19(2,3)4/h8-12,17,21H,5-7H2,1-4H3/t17-/m1/s1.
What are the key properties of 4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide?
4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 51961532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).