1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea

C16H16FN3O3S2 — CID 55684160

IUPAC1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)NC2CCSc3ccc(F)cc32)c1
InChIInChI=1S/C16H16FN3O3S2/c17-10-4-5-15-13(8-10)14(6-7-24-15)20-16(21)19-11-2-1-3-12(9-11)25(18,22)23/h1-5,8-9,14H,6-7H2,(H2,18,22,23)(H2,19,20,21)
InChIKeyHUKIXEHLSFQLET-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.83
Rot. Bonds3

About 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea

1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea (PubChem CID 55684160) has the molecular formula C16H16FN3O3S2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea
PubChem CID55684160
Molecular FormulaC16H16FN3O3S2
Molecular Weight381.45 g/mol
Exact Mass381.06
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cccc(NC(=O)NC2CCSc3ccc(F)cc32)c1
InChIInChI=1S/C16H16FN3O3S2/c17-10-4-5-15-13(8-10)14(6-7-24-15)20-16(21)19-11-2-1-3-12(9-11)25(18,22)23/h1-5,8-9,14H,6-7H2,(H2,18,22,23)(H2,19,20,21)
InChIKeyHUKIXEHLSFQLET-UHFFFAOYSA-N
XLogP2.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea with MolForge

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Launch Full Analysis

Related Compounds

1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea
CID 27870361
1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 94453338
3-(2,2-dimethylpropanoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 55527753
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
1-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
CID 81179375
1-(benzenesulfonyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide
CID 26002416
3-chloro-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468668
2-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60940880
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
CID 119274634
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide
CID 47121348
2-amino-3,3,3-trifluoro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpropanamide
CID 79791424
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
CID 26468733

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea?
The IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea (CID 55684160) is 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea?
The canonical SMILES for 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea is NS(=O)(=O)c1cccc(NC(=O)NC2CCSc3ccc(F)cc32)c1.
What is the InChIKey of 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea?
The InChIKey is HUKIXEHLSFQLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S2/c17-10-4-5-15-13(8-10)14(6-7-24-15)20-16(21)19-11-2-1-3-12(9-11)25(18,22)23/h1-5,8-9,14H,6-7H2,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea?
1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea has a molecular weight of 381.45 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea is sourced from PubChem (CID 55684160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).