2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide

C16H17N3O3S — CID 144893602

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc3c(c2)CCCO3)cccc1S(N)(=O)=O
InChIInChI=1S/C16H17N3O3S/c17-16(18)15-12(4-1-5-14(15)23(19,20)21)10-6-7-13-11(9-10)3-2-8-22-13/h1,4-7,9H,2-3,8H2,(H3,17,18)(H2,19,20,21)
InChIKeyHCPRVIVWEYJSSB-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.61
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide

2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide (PubChem CID 144893602) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide
PubChem CID144893602
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc3c(c2)CCCO3)cccc1S(N)(=O)=O
InChIInChI=1S/C16H17N3O3S/c17-16(18)15-12(4-1-5-14(15)23(19,20)21)10-6-7-13-11(9-10)3-2-8-22-13/h1,4-7,9H,2-3,8H2,(H3,17,18)(H2,19,20,21)
InChIKeyHCPRVIVWEYJSSB-UHFFFAOYSA-N
XLogP1.61
TPSA119.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910597
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine
CID 61032565
ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 83142809
1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910642
3-[(E)-2-methyl-3-oxo-4-[7-(2-sulfamoylphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]but-1-enyl]benzenecarboximidamide
CID 142166754
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline
CID 54912524
2-[2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 71597933
ethyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 70874636
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide (CID 144893602) is 2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide is [H]/N=C(\N)c1c(-c2ccc3c(c2)CCCO3)cccc1S(N)(=O)=O.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide?
The InChIKey is HCPRVIVWEYJSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c17-16(18)15-12(4-1-5-14(15)23(19,20)21)10-6-7-13-11(9-10)3-2-8-22-13/h1,4-7,9H,2-3,8H2,(H3,17,18)(H2,19,20,21).
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide?
2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide has a molecular weight of 331.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-6-sulfamoylbenzenecarboximidamide is sourced from PubChem (CID 144893602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).