2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide

C18H24N4O4S — CID 97346810

IUPAC2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCCc3cn(CC(=O)N(C)C)nc32)cc1
InChIInChI=1S/C18H24N4O4S/c1-21(2)17(23)12-22-11-13-5-4-6-16(18(13)19-22)20-27(24,25)15-9-7-14(26-3)8-10-15/h7-11,16,20H,4-6,12H2,1-3H3/t16-/m0/s1
InChIKeyABRXRLXLEJJZHP-INIZCTEOSA-N
MW392.48 g/mol
LogP1.34
Rot. Bonds6

About 2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide

2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide (PubChem CID 97346810) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide
PubChem CID97346810
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCCc3cn(CC(=O)N(C)C)nc32)cc1
InChIInChI=1S/C18H24N4O4S/c1-21(2)17(23)12-22-11-13-5-4-6-16(18(13)19-22)20-27(24,25)15-9-7-14(26-3)8-10-15/h7-11,16,20H,4-6,12H2,1-3H3/t16-/m0/s1
InChIKeyABRXRLXLEJJZHP-INIZCTEOSA-N
XLogP1.34
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 75475527
N-[(7R)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide
CID 97346805
2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide
CID 75475565
N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide
CID 97346822
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide
CID 125493248
ethyl 2-[(7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetate
CID 97299942
N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide
CID 97346880
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 110399734
4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 154859038
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide (CID 97346810) is 2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide is COc1ccc(S(=O)(=O)N[C@H]2CCCc3cn(CC(=O)N(C)C)nc32)cc1.
What is the InChIKey of 2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is ABRXRLXLEJJZHP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-21(2)17(23)12-22-11-13-5-4-6-16(18(13)19-22)20-27(24,25)15-9-7-14(26-3)8-10-15/h7-11,16,20H,4-6,12H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide?
2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 392.48 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 97346810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).