3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide

C16H15ClFNO4S — CID 53209985

IUPAC3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
SMILESCOc1cccc2c1OCC(NS(=O)(=O)c1ccc(F)c(Cl)c1)C2
InChIInChI=1S/C16H15ClFNO4S/c1-22-15-4-2-3-10-7-11(9-23-16(10)15)19-24(20,21)12-5-6-14(18)13(17)8-12/h2-6,8,11,19H,7,9H2,1H3
InChIKeyCQOSOLUNDMQBJP-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.77
Rot. Bonds4

About 3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide

3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide (PubChem CID 53209985) has the molecular formula C16H15ClFNO4S and a molecular weight of 371.82 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
PubChem CID53209985
Molecular FormulaC16H15ClFNO4S
Molecular Weight371.82 g/mol
Exact Mass371.04
IUPAC Name3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
SMILESCOc1cccc2c1OCC(NS(=O)(=O)c1ccc(F)c(Cl)c1)C2
InChIInChI=1S/C16H15ClFNO4S/c1-22-15-4-2-3-10-7-11(9-23-16(10)15)19-24(20,21)12-5-6-14(18)13(17)8-12/h2-6,8,11,19H,7,9H2,1H3
InChIKeyCQOSOLUNDMQBJP-UHFFFAOYSA-N
XLogP2.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209975
2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 93045417
5-chloro-N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxybenzenesulfonamide
CID 95117130
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 53210010
4-chloro-N-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 95117153
3-chloro-N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53210040
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 95117126
N-[4-[(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)sulfamoyl]phenyl]acetamide
CID 53210004
4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72849484
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide (CID 53209985) is 3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide is COc1cccc2c1OCC(NS(=O)(=O)c1ccc(F)c(Cl)c1)C2.
What is the InChIKey of 3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide?
The InChIKey is CQOSOLUNDMQBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO4S/c1-22-15-4-2-3-10-7-11(9-23-16(10)15)19-24(20,21)12-5-6-14(18)13(17)8-12/h2-6,8,11,19H,7,9H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide?
3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide has a molecular weight of 371.82 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide is sourced from PubChem (CID 53209985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).