1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride

C13H15ClN3O2S- — CID 53314219

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCc2ccccc21.[Cl-]
InChIInChI=1S/C13H15N3O2S.ClH/c1-9-13(10(2)15-14-9)19(17,18)16-8-7-11-5-3-4-6-12(11)16;/h3-6H,7-8H2,1-2H3,(H,14,15);1H/p-1
InChIKeyCVYAFGKJJFOHJQ-UHFFFAOYSA-M
MW312.80 g/mol
LogP-1.22
Rot. Bonds2

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride (PubChem CID 53314219) has the molecular formula C13H15ClN3O2S- and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride
PubChem CID53314219
Molecular FormulaC13H15ClN3O2S-
Molecular Weight312.80 g/mol
Exact Mass312.06
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCc2ccccc21.[Cl-]
InChIInChI=1S/C13H15N3O2S.ClH/c1-9-13(10(2)15-14-9)19(17,18)16-8-7-11-5-3-4-6-12(11)16;/h3-6H,7-8H2,1-2H3,(H,14,15);1H/p-1
InChIKeyCVYAFGKJJFOHJQ-UHFFFAOYSA-M
XLogP-1.22
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole
CID 866895
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 64852168
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 6624044
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,3-dihydro-1,4-benzoxazine
CID 154737750
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,3-dimethyl-1,4-dihydroisoquinoline
CID 110712891
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine
CID 46976898
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110351776
3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid
CID 102747623
1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole
CID 5298304
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-fluoro-2,3-dihydro-1,4-benzoxazine
CID 110639399

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride (CID 53314219) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride is Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2ccccc21.[Cl-].
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride?
The InChIKey is CVYAFGKJJFOHJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15N3O2S.ClH/c1-9-13(10(2)15-14-9)19(17,18)16-8-7-11-5-3-4-6-12(11)16;/h3-6H,7-8H2,1-2H3,(H,14,15);1H/p-1.
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride has a molecular weight of 312.80 g/mol, XLogP of -1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride is sourced from PubChem (CID 53314219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).