1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea

C16H16FN3O3S2 — CID 27870361

IUPAC1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCSc3c(F)cccc32)cc1
InChIInChI=1S/C16H16FN3O3S2/c17-13-3-1-2-12-14(8-9-24-15(12)13)20-16(21)19-10-4-6-11(7-5-10)25(18,22)23/h1-7,14H,8-9H2,(H2,18,22,23)(H2,19,20,21)/t14-/m0/s1
InChIKeyIZPOKGXCFDJBDM-AWEZNQCLSA-N
MW381.45 g/mol
LogP2.83
Rot. Bonds3

About 1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea

1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea (PubChem CID 27870361) has the molecular formula C16H16FN3O3S2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea
PubChem CID27870361
Molecular FormulaC16H16FN3O3S2
Molecular Weight381.45 g/mol
Exact Mass381.06
IUPAC Name1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCSc3c(F)cccc32)cc1
InChIInChI=1S/C16H16FN3O3S2/c17-13-3-1-2-12-14(8-9-24-15(12)13)20-16(21)19-10-4-6-11(7-5-10)25(18,22)23/h1-7,14H,8-9H2,(H2,18,22,23)(H2,19,20,21)/t14-/m0/s1
InChIKeyIZPOKGXCFDJBDM-AWEZNQCLSA-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-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethoxyphenyl)-3-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)urea
CID 86914167
1-(2,4-difluorophenyl)-3-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 27870358
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylsulfamoyl)benzamide
CID 55462599
1-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(3-sulfamoylphenyl)urea
CID 55684160
4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26007631
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 17475582
1-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methyl-5-nitrophenyl)urea
CID 86986422
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014064
1-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924350
1-(4-chlorophenyl)sulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 55447683

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea (CID 27870361) is 1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCSc3c(F)cccc32)cc1.
What is the InChIKey of 1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is IZPOKGXCFDJBDM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16FN3O3S2/c17-13-3-1-2-12-14(8-9-24-15(12)13)20-16(21)19-10-4-6-11(7-5-10)25(18,22)23/h1-7,14H,8-9H2,(H2,18,22,23)(H2,19,20,21)/t14-/m0/s1.
What are the key properties of 1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea?
1-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-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-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 27870361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).