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

C17H18ClNO5S — CID 90535862

IUPAC3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(O)CCOc3ccccc32)cc1Cl
InChIInChI=1S/C17H18ClNO5S/c1-23-16-7-6-12(10-14(16)18)25(21,22)19-11-17(20)8-9-24-15-5-3-2-4-13(15)17/h2-7,10,19-20H,8-9,11H2,1H3
InChIKeyBOJBHHKCONZLDU-UHFFFAOYSA-N
MW383.85 g/mol
LogP2.30
Rot. Bonds5

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

3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 90535862) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is 3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide
PubChem CID90535862
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(O)CCOc3ccccc32)cc1Cl
InChIInChI=1S/C17H18ClNO5S/c1-23-16-7-6-12(10-14(16)18)25(21,22)19-11-17(20)8-9-24-15-5-3-2-4-13(15)17/h2-7,10,19-20H,8-9,11H2,1H3
InChIKeyBOJBHHKCONZLDU-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

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

5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 90535863
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 71788940
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90535867
5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide
CID 95984859
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]prop-2-enamide
CID 90535769
3-chloro-N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-4-methoxybenzenesulfonamide
CID 126852014
3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
CID 155541343
N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 95984899
3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450563
3-bromo-N-[(4-methoxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
CID 155530343
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 71806401
N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 97355226

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide (CID 90535862) is 3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2(O)CCOc3ccccc32)cc1Cl.
What is the InChIKey of 3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is BOJBHHKCONZLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-23-16-7-6-12(10-14(16)18)25(21,22)19-11-17(20)8-9-24-15-5-3-2-4-13(15)17/h2-7,10,19-20H,8-9,11H2,1H3.
What are the key properties of 3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-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 3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 90535862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).