3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide

C13H16N4O3S — CID 61108787

IUPAC3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCOc3ccccc32)c(N)n1
InChIInChI=1S/C13H16N4O3S/c1-17-8-12(13(14)15-17)21(18,19)16-10-6-7-20-11-5-3-2-4-9(10)11/h2-5,8,10,16H,6-7H2,1H3,(H2,14,15)
InChIKeyMTBQEBRYCYCAOE-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.80
Rot. Bonds3

About 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 61108787) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID61108787
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCOc3ccccc32)c(N)n1
InChIInChI=1S/C13H16N4O3S/c1-17-8-12(13(14)15-17)21(18,19)16-10-6-7-20-11-5-3-2-4-9(10)11/h2-5,8,10,16H,6-7H2,1H3,(H2,14,15)
InChIKeyMTBQEBRYCYCAOE-UHFFFAOYSA-N
XLogP0.80
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 18096764
3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 60814194
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
5-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methyltriazole-4-sulfonamide
CID 106467586
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide
CID 150542677
(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
CID 94026699
(2R,6R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51930254
3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide
CID 65471585
N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719
5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide
CID 34042955
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide (CID 61108787) is 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2CCOc3ccccc32)c(N)n1.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is MTBQEBRYCYCAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-17-8-12(13(14)15-17)21(18,19)16-10-6-7-20-11-5-3-2-4-9(10)11/h2-5,8,10,16H,6-7H2,1H3,(H2,14,15).
What are the key properties of 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 61108787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).