N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C16H21N3O3S — CID 71806250

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C16H21N3O3S/c1-11-15(12(2)19(3)18-11)23(21,22)17-10-16(20)9-8-13-6-4-5-7-14(13)16/h4-7,17,20H,8-10H2,1-3H3
InChIKeyWCKIPNDSBZTECR-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.15
Rot. Bonds4

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71806250) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71806250
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C16H21N3O3S/c1-11-15(12(2)19(3)18-11)23(21,22)17-10-16(20)9-8-13-6-4-5-7-14(13)16/h4-7,17,20H,8-10H2,1-3H3
InChIKeyWCKIPNDSBZTECR-UHFFFAOYSA-N
XLogP1.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806357
(S)-2-[(1-methyl-3,5-dimethyl-4-pyrazolylsulfonylamino)methyl]-1,2,3,4-tetrahydro-2-naphthol
CID 97355235
1,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 71806237
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71810687
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 75431318
N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97325972
N-[(2S)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97325973
1,3,5-trimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]pyrazole-4-sulfonamide
CID 97355095
1,3,5-trimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]pyrazole-4-sulfonamide
CID 97355096
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97355163
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97355164
N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97428487

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71806250) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC1(O)CCc2ccccc21.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is WCKIPNDSBZTECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-15(12(2)19(3)18-11)23(21,22)17-10-16(20)9-8-13-6-4-5-7-14(13)16/h4-7,17,20H,8-10H2,1-3H3.
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).