5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide

C17H18ClNO5S — CID 90535863

IUPAC5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC1(O)CCOc2ccccc21
InChIInChI=1S/C17H18ClNO5S/c1-23-15-7-6-12(18)10-16(15)25(21,22)19-11-17(20)8-9-24-14-5-3-2-4-13(14)17/h2-7,10,19-20H,8-9,11H2,1H3
InChIKeyDDJSEXFEBXJFLV-UHFFFAOYSA-N
MW383.85 g/mol
LogP2.30
Rot. Bonds5

About 5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide

5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 90535863) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is 5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
PubChem CID90535863
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC1(O)CCOc2ccccc21
InChIInChI=1S/C17H18ClNO5S/c1-23-15-7-6-12(18)10-16(15)25(21,22)19-11-17(20)8-9-24-14-5-3-2-4-13(14)17/h2-7,10,19-20H,8-9,11H2,1H3
InChIKeyDDJSEXFEBXJFLV-UHFFFAOYSA-N
XLogP2.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide (CID 90535863) is 5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCC1(O)CCOc2ccccc21.
What is the InChIKey of 5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is DDJSEXFEBXJFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-23-15-7-6-12(18)10-16(15)25(21,22)19-11-17(20)8-9-24-14-5-3-2-4-13(14)17/h2-7,10,19-20H,8-9,11H2,1H3.
What are the key properties of 5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 383.85 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 90535863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).