N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

C18H25N3O2S — CID 11681775

IUPACN-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCc1nn(C)c(C)c1-c1ccc2c(c1)CC(NS(=O)(=O)C(C)C)C2
InChIInChI=1S/C18H25N3O2S/c1-11(2)24(22,23)20-17-9-14-6-7-15(8-16(14)10-17)18-12(3)19-21(5)13(18)4/h6-8,11,17,20H,9-10H2,1-5H3
InChIKeyRKRWTZLOUGZDHI-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.50
Rot. Bonds4

About N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 11681775) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID11681775
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCc1nn(C)c(C)c1-c1ccc2c(c1)CC(NS(=O)(=O)C(C)C)C2
InChIInChI=1S/C18H25N3O2S/c1-11(2)24(22,23)20-17-9-14-6-7-15(8-16(14)10-17)18-12(3)19-21(5)13(18)4/h6-8,11,17,20H,9-10H2,1-5H3
InChIKeyRKRWTZLOUGZDHI-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide with MolForge

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Related Compounds

N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
CID 11602149
N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11638501
N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154366
(1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154534
N-[5-(2-fluoro-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 68569807
1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide
CID 55030816
N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154364
(1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154365
N-[5-[3-(aminomethyl)phenyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;N-[5-[3-(methanesulfonamidomethyl)phenyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 69349963
N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride
CID 131729713
N-[[2-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 61033411
N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154368

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 11681775) is N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is Cc1nn(C)c(C)c1-c1ccc2c(c1)CC(NS(=O)(=O)C(C)C)C2.
What is the InChIKey of N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is RKRWTZLOUGZDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-11(2)24(22,23)20-17-9-14-6-7-15(8-16(14)10-17)18-12(3)19-21(5)13(18)4/h6-8,11,17,20H,9-10H2,1-5H3.
What are the key properties of N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 347.48 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 11681775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).