[7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate

C16H14ClNO3S — CID 175253054

IUPAC[7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESNC(=O)OC1CCOc2cc(Sc3cccc(Cl)c3)ccc21
InChIInChI=1S/C16H14ClNO3S/c17-10-2-1-3-11(8-10)22-12-4-5-13-14(21-16(18)19)6-7-20-15(13)9-12/h1-5,8-9,14H,6-7H2,(H2,18,19)
InChIKeyQBYIIMFBWPAMBA-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.41
Rot. Bonds3

About [7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate

[7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate (PubChem CID 175253054) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is [7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate
PubChem CID175253054
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC Name[7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESNC(=O)OC1CCOc2cc(Sc3cccc(Cl)c3)ccc21
InChIInChI=1S/C16H14ClNO3S/c17-10-2-1-3-11(8-10)22-12-4-5-13-14(21-16(18)19)6-7-20-15(13)9-12/h1-5,8-9,14H,6-7H2,(H2,18,19)
InChIKeyQBYIIMFBWPAMBA-UHFFFAOYSA-N
XLogP4.41
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate 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

[7-[3-(trifluoromethyl)phenyl]sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175252922
[7-[3-(trifluoromethoxy)phenyl]sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175252966
[7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253081
(8-benzylsulfanyl-5-chloro-3,4-dihydro-2H-chromen-4-yl) carbamate
CID 175246776
[7-(3-tert-butylphenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253056
[6-(4-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253123
[7-(2,5-dichlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253134
[7-(3-ethoxyphenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253176
[7-[3-(methoxymethoxy)phenyl]sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253199
[7-(3-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175374237
7-(3-Chlorophenyl)sulfanyl-4-methylchromen-2-one
CID 57520192

Frequently Asked Questions

What is the IUPAC name of [7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate?
The IUPAC name of [7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate (CID 175253054) is [7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate.
What is the SMILES notation for [7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate?
The canonical SMILES for [7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate is NC(=O)OC1CCOc2cc(Sc3cccc(Cl)c3)ccc21.
What is the InChIKey of [7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate?
The InChIKey is QBYIIMFBWPAMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c17-10-2-1-3-11(8-10)22-12-4-5-13-14(21-16(18)19)6-7-20-15(13)9-12/h1-5,8-9,14H,6-7H2,(H2,18,19).
What are the key properties of [7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate?
[7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate has a molecular weight of 335.81 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-chlorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-yl] carbamate is sourced from PubChem (CID 175253054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).