3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide

C16H21N3O2S — CID 56731325

IUPAC3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCc3c2cnn3C)cc1C
InChIInChI=1S/C16H21N3O2S/c1-11-7-8-13(9-12(11)2)22(20,21)18-15-5-4-6-16-14(15)10-17-19(16)3/h7-10,15,18H,4-6H2,1-3H3
InChIKeyVXYVQQPTJOCKOB-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.39
Rot. Bonds3

About 3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide

3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide (PubChem CID 56731325) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide
PubChem CID56731325
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCc3c2cnn3C)cc1C
InChIInChI=1S/C16H21N3O2S/c1-11-7-8-13(9-12(11)2)22(20,21)18-15-5-4-6-16-14(15)10-17-19(16)3/h7-10,15,18H,4-6H2,1-3H3
InChIKeyVXYVQQPTJOCKOB-UHFFFAOYSA-N
XLogP2.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]naphthalene-2-sulfonamide
CID 34125322
3-cyano-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 34125604
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
1-methyl-N-(2-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43719996
N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 42308688
2,6-dimethyl-4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43435407
4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 51961532
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254699
1-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 63329281

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide (CID 56731325) is 3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCc3c2cnn3C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide?
The InChIKey is VXYVQQPTJOCKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-7-8-13(9-12(11)2)22(20,21)18-15-5-4-6-16-14(15)10-17-19(16)3/h7-10,15,18H,4-6H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide?
3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 56731325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).