N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide

C17H17ClN2O3S2 — CID 46644365

IUPACN-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCSc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H17ClN2O3S2/c1-11(21)19-13-3-5-14(6-4-13)25(22,23)20-16-8-9-24-17-7-2-12(18)10-15(16)17/h2-7,10,16,20H,8-9H2,1H3,(H,19,21)
InChIKeyWXRGNYLBQJIUKT-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.81
Rot. Bonds4

About N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide

N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide (PubChem CID 46644365) has the molecular formula C17H17ClN2O3S2 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide
PubChem CID46644365
Molecular FormulaC17H17ClN2O3S2
Molecular Weight396.92 g/mol
Exact Mass396.04
IUPAC NameN-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCSc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H17ClN2O3S2/c1-11(21)19-13-3-5-14(6-4-13)25(22,23)20-16-8-9-24-17-7-2-12(18)10-15(16)17/h2-7,10,16,20H,8-9H2,1H3,(H,19,21)
InChIKeyWXRGNYLBQJIUKT-UHFFFAOYSA-N
XLogP3.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 46649804
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
CID 47371964
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-5-sulfonamide
CID 102692643
N-[4-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfamoyl]phenyl]acetamide
CID 95317507
N-[2-chloro-4-[(2-oxothiolan-3-yl)sulfamoyl]phenyl]acetamide
CID 3348697
(2R,6S)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 100851391
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(methylamino)acetamide;hydrochloride
CID 119696427
(4S)-4-[[butyl(methyl)sulfamoyl]amino]-6-chloro-3,4-dihydro-2H-thiochromene
CID 34049375
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
6-chloro-N-(1-methylsulfonylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 64629732
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]ethylurea
CID 83111726

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide (CID 46644365) is N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2CCSc3ccc(Cl)cc32)cc1.
What is the InChIKey of N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is WXRGNYLBQJIUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S2/c1-11(21)19-13-3-5-14(6-4-13)25(22,23)20-16-8-9-24-17-7-2-12(18)10-15(16)17/h2-7,10,16,20H,8-9H2,1H3,(H,19,21).
What are the key properties of N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 396.92 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 46644365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).