6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide

C13H16N4O3S — CID 107337130

IUPAC6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(N)cc3c2OCCC3)n[nH]1
InChIInChI=1S/C13H16N4O3S/c1-8-5-12(16-15-8)17-21(18,19)11-7-10(14)6-9-3-2-4-20-13(9)11/h5-7H,2-4,14H2,1H3,(H2,15,16,17)
InChIKeyARSDKAJZXHKTFD-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.43
Rot. Bonds3

About 6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide

6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337130) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337130
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(N)cc3c2OCCC3)n[nH]1
InChIInChI=1S/C13H16N4O3S/c1-8-5-12(16-15-8)17-21(18,19)11-7-10(14)6-9-3-2-4-20-13(9)11/h5-7H,2-4,14H2,1H3,(H2,15,16,17)
InChIKeyARSDKAJZXHKTFD-UHFFFAOYSA-N
XLogP1.43
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337267
6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336952
6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336949
6-amino-N-(1,2,4-triazin-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337282
6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337288
6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337228
6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336964
6-amino-N-(2-hydroxypropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337032
6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337304
6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337040
6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337189
6-amino-N-(2-methylcyclopentyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337125

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337130) is 6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide is Cc1cc(NS(=O)(=O)c2cc(N)cc3c2OCCC3)n[nH]1.
What is the InChIKey of 6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is ARSDKAJZXHKTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8-5-12(16-15-8)17-21(18,19)11-7-10(14)6-9-3-2-4-20-13(9)11/h5-7H,2-4,14H2,1H3,(H2,15,16,17).
What are the key properties of 6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).