3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide

C16H15Br2NO4S — CID 155541343

IUPAC3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOc2ccc(Br)cc21)c1cccc(Br)c1
InChIInChI=1S/C16H15Br2NO4S/c17-11-2-1-3-13(8-11)24(21,22)19-10-16(20)6-7-23-15-5-4-12(18)9-14(15)16/h1-5,8-9,19-20H,6-7,10H2
InChIKeyHFXOFPAFZYUFIT-UHFFFAOYSA-N
MW477.17 g/mol
LogP3.16
Rot. Bonds4

About 3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide

3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide (PubChem CID 155541343) has the molecular formula C16H15Br2NO4S and a molecular weight of 477.17 g/mol. Its IUPAC name is 3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
PubChem CID155541343
Molecular FormulaC16H15Br2NO4S
Molecular Weight477.17 g/mol
Exact Mass474.91
IUPAC Name3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOc2ccc(Br)cc21)c1cccc(Br)c1
InChIInChI=1S/C16H15Br2NO4S/c17-11-2-1-3-13(8-11)24(21,22)19-10-16(20)6-7-23-15-5-4-12(18)9-14(15)16/h1-5,8-9,19-20H,6-7,10H2
InChIKeyHFXOFPAFZYUFIT-UHFFFAOYSA-N
XLogP3.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.17
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(4-methoxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
CID 155530343
3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122167
2-(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)acetic acid
CID 83763635
3-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 90535862
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide
CID 90535803
3-bromo-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzenesulfonamide
CID 55464111
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90535867
N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 154884064
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 71788940
N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 95984899
5-chloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2-methoxybenzenesulfonamide
CID 90535863
1-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450101

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide (CID 155541343) is 3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCOc2ccc(Br)cc21)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide?
The InChIKey is HFXOFPAFZYUFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO4S/c17-11-2-1-3-13(8-11)24(21,22)19-10-16(20)6-7-23-15-5-4-12(18)9-14(15)16/h1-5,8-9,19-20H,6-7,10H2.
What are the key properties of 3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide?
3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide has a molecular weight of 477.17 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 155541343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).