3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide

C15H16N4O2S — CID 34125604

IUPAC3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
SMILESCn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H16N4O2S/c1-19-15-7-3-6-14(13(15)10-17-19)18-22(20,21)12-5-2-4-11(8-12)9-16/h2,4-5,8,10,14,18H,3,6-7H2,1H3/t14-/m0/s1
InChIKeyBWBYLVQTOQHQTN-AWEZNQCLSA-N
MW316.39 g/mol
LogP1.65
Rot. Bonds3

About 3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide

3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide (PubChem CID 34125604) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
PubChem CID34125604
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
SMILESCn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H16N4O2S/c1-19-15-7-3-6-14(13(15)10-17-19)18-22(20,21)12-5-2-4-11(8-12)9-16/h2,4-5,8,10,14,18H,3,6-7H2,1H3/t14-/m0/s1
InChIKeyBWBYLVQTOQHQTN-AWEZNQCLSA-N
XLogP1.65
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide
CID 34125322
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]ethanesulfonamide
CID 94197139
2,5-dimethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 94113755
N,N-diethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)sulfamoyl]benzamide
CID 47954940
3-methoxy-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]benzonitrile
CID 107466622
2-[3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]phenoxy]acetonitrile
CID 43721285
3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922365
3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
CID 102794968
3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43176217
5-bromo-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]benzonitrile
CID 82708654
2-[4-[(3-nitrophenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethyl acetate
CID 150790381

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide (CID 34125604) is 3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide is Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide?
The InChIKey is BWBYLVQTOQHQTN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-19-15-7-3-6-14(13(15)10-17-19)18-22(20,21)12-5-2-4-11(8-12)9-16/h2,4-5,8,10,14,18H,3,6-7H2,1H3/t14-/m0/s1.
What are the key properties of 3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide?
3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide has a molecular weight of 316.39 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 34125604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).