2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide

C16H21N3O4S — CID 94113755

IUPAC2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCc3c2cnn3C)c1
InChIInChI=1S/C16H21N3O4S/c1-19-14-6-4-5-13(12(14)10-17-19)18-24(20,21)16-9-11(22-2)7-8-15(16)23-3/h7-10,13,18H,4-6H2,1-3H3/t13-/m1/s1
InChIKeyHZUIBPHMHUXWLH-CYBMUJFWSA-N
MW351.43 g/mol
LogP1.79
Rot. Bonds5

About 2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide

2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide (PubChem CID 94113755) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
PubChem CID94113755
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCc3c2cnn3C)c1
InChIInChI=1S/C16H21N3O4S/c1-19-14-6-4-5-13(12(14)10-17-19)18-24(20,21)16-9-11(22-2)7-8-15(16)23-3/h7-10,13,18H,4-6H2,1-3H3/t13-/m1/s1
InChIKeyHZUIBPHMHUXWLH-CYBMUJFWSA-N
XLogP1.79
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide
CID 56731325
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide
CID 34125322
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
CID 94197139
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
4-methoxy-2-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43727317
2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94080097
4-methoxy-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dimethylbenzenesulfonamide
CID 100753581
3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 34125604
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 42308688
1-[(4-methoxyphenyl)methyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 38884548
1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 55602158

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide (CID 94113755) is 2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCc3c2cnn3C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide?
The InChIKey is HZUIBPHMHUXWLH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-19-14-6-4-5-13(12(14)10-17-19)18-24(20,21)16-9-11(22-2)7-8-15(16)23-3/h7-10,13,18H,4-6H2,1-3H3/t13-/m1/s1.
What are the key properties of 2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide?
2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 94113755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).