benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen

C23H28FN3O3S2 — CID 145285646

IUPACbenzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen
SMILESO=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CCCCC1)CCO2.[H][H].c1ccccc1
InChIInChI=1S/C17H20FN3O3S2.C6H6.H2/c18-13-10-12-14(21-6-2-1-3-7-21)4-8-24-15(12)11-16(13)26(22,23)20-17-19-5-9-25-17;1-2-4-6-5-3-1;/h5,9-11,14H,1-4,6-8H2,(H,19,20);1-6H;1H/t14-;;/m1../s1
InChIKeyASQDMUNQXUUGCE-FMOMHUKBSA-N
MW477.63 g/mol
LogP5.33
Rot. Bonds4

About benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen

benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen (PubChem CID 145285646) has the molecular formula C23H28FN3O3S2 and a molecular weight of 477.63 g/mol. Its IUPAC name is benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen.

Molecular Properties

Compound Namebenzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen
PubChem CID145285646
Molecular FormulaC23H28FN3O3S2
Molecular Weight477.63 g/mol
Exact Mass477.16
IUPAC Namebenzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen
SMILESO=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CCCCC1)CCO2.[H][H].c1ccccc1
InChIInChI=1S/C17H20FN3O3S2.C6H6.H2/c18-13-10-12-14(21-6-2-1-3-7-21)4-8-24-15(12)11-16(13)26(22,23)20-17-19-5-9-25-17;1-2-4-6-5-3-1;/h5,9-11,14H,1-4,6-8H2,(H,19,20);1-6H;1H/t14-;;/m1../s1
InChIKeyASQDMUNQXUUGCE-FMOMHUKBSA-N
XLogP5.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen 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

N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;pyridine
CID 145285189
(4S)-6-fluoro-4-[(2S,4R)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 140925038
molecular hydrogen;(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;pyridine
CID 145285304
fluoroform;N-[(6-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-7-yl)sulfanyl]-1,3-thiazol-2-amine;1H-pyrazole
CID 145285260
(4R)-4-piperidin-1-yl-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 145285117
5-chloro-2-fluoro-4-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134429547
4-[2-[ethyl(methyl)amino]cyclohexyl]-6-fluoro-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 134429837
(4S)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfinamide
CID 145285485
4-[[(8S)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methylamino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118109061
5-chloro-2-fluoro-4-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134438259
ethane;fluorobenzene;(4S)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfinamide
CID 145285484
1-[(4R)-6-fluoro-7-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine
CID 145285266

Frequently Asked Questions

What is the IUPAC name of benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen?
The IUPAC name of benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen (CID 145285646) is benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen.
What is the SMILES notation for benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen?
The canonical SMILES for benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen is O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CCCCC1)CCO2.[H][H].c1ccccc1.
What is the InChIKey of benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen?
The InChIKey is ASQDMUNQXUUGCE-FMOMHUKBSA-N. The full InChI is InChI=1S/C17H20FN3O3S2.C6H6.H2/c18-13-10-12-14(21-6-2-1-3-7-21)4-8-24-15(12)11-16(13)26(22,23)20-17-19-5-9-25-17;1-2-4-6-5-3-1;/h5,9-11,14H,1-4,6-8H2,(H,19,20);1-6H;1H/t14-;;/m1../s1.
What are the key properties of benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen?
benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen has a molecular weight of 477.63 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen is sourced from PubChem (CID 145285646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).