4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide

C16H16ClNO4S — CID 95117153

IUPAC4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
SMILESCOc1ccc2c(c1)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)CO2
InChIInChI=1S/C16H16ClNO4S/c1-21-14-4-7-16-11(9-14)8-13(10-22-16)18-23(19,20)15-5-2-12(17)3-6-15/h2-7,9,13,18H,8,10H2,1H3/t13-/m0/s1
InChIKeyVURJCIROQZYWHN-ZDUSSCGKSA-N
MW353.83 g/mol
LogP2.63
Rot. Bonds4

About 4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide

4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide (PubChem CID 95117153) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
PubChem CID95117153
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
SMILESCOc1ccc2c(c1)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)CO2
InChIInChI=1S/C16H16ClNO4S/c1-21-14-4-7-16-11(9-14)8-13(10-22-16)18-23(19,20)15-5-2-12(17)3-6-15/h2-7,9,13,18H,8,10H2,1H3/t13-/m0/s1
InChIKeyVURJCIROQZYWHN-ZDUSSCGKSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53210040
4-tert-butyl-N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53210024
N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide
CID 53210049
N-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-propylbenzenesulfonamide
CID 95117137
5-chloro-2-methoxy-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117179
N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide
CID 53210068
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 53210064
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 94064797
N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide
CID 95117197
N-[(3S)-6-bromo-3,4-dihydro-2H-chromen-3-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 95117238
3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209985

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide (CID 95117153) is 4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide is COc1ccc2c(c1)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)CO2.
What is the InChIKey of 4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
The InChIKey is VURJCIROQZYWHN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-21-14-4-7-16-11(9-14)8-13(10-22-16)18-23(19,20)15-5-2-12(17)3-6-15/h2-7,9,13,18H,8,10H2,1H3/t13-/m0/s1.
What are the key properties of 4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide has a molecular weight of 353.83 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide is sourced from PubChem (CID 95117153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).