N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide

C19H19ClN2O3S2 — CID 46649804

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide
SMILESO=C(NC1CCSc2ccc(Cl)cc21)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C19H19ClN2O3S2/c20-13-3-8-18-16(11-13)17(9-10-26-18)21-19(23)12-1-6-15(7-2-12)27(24,25)22-14-4-5-14/h1-3,6-8,11,14,17,22H,4-5,9-10H2,(H,21,23)
InChIKeyJSVFMUSBUIVTAB-UHFFFAOYSA-N
MW422.96 g/mol
LogP3.75
Rot. Bonds5

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide (PubChem CID 46649804) has the molecular formula C19H19ClN2O3S2 and a molecular weight of 422.96 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide
PubChem CID46649804
Molecular FormulaC19H19ClN2O3S2
Molecular Weight422.96 g/mol
Exact Mass422.05
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide
SMILESO=C(NC1CCSc2ccc(Cl)cc21)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C19H19ClN2O3S2/c20-13-3-8-18-16(11-13)17(9-10-26-18)21-19(23)12-1-6-15(7-2-12)27(24,25)22-14-4-5-14/h1-3,6-8,11,14,17,22H,4-5,9-10H2,(H,21,23)
InChIKeyJSVFMUSBUIVTAB-UHFFFAOYSA-N
XLogP3.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 60697768
N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide
CID 46644365
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
CID 17479306
2-bromo-5-(cyclopropylsulfamoyl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 24516457
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide
CID 17484910
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26002414
5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide
CID 25400960
5-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)furan-2-carboxamide
CID 60697597
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46656428
2,3-dichloro-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 46656545
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)propane-2-sulfonamide
CID 47371964

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide (CID 46649804) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide is O=C(NC1CCSc2ccc(Cl)cc21)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide?
The InChIKey is JSVFMUSBUIVTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S2/c20-13-3-8-18-16(11-13)17(9-10-26-18)21-19(23)12-1-6-15(7-2-12)27(24,25)22-14-4-5-14/h1-3,6-8,11,14,17,22H,4-5,9-10H2,(H,21,23).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide has a molecular weight of 422.96 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 46649804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).