5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide

C14H13BrClNO4S — CID 3518295

IUPAC5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1CO
InChIInChI=1S/C14H13BrClNO4S/c1-21-13-5-2-10(15)7-14(13)22(19,20)17-12-4-3-11(16)6-9(12)8-18/h2-7,17-18H,8H2,1H3
InChIKeyJKPWASJDNBWWQN-UHFFFAOYSA-N
MW406.69 g/mol
LogP3.40
Rot. Bonds5

About 5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide

5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide (PubChem CID 3518295) has the molecular formula C14H13BrClNO4S and a molecular weight of 406.69 g/mol. Its IUPAC name is 5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide
PubChem CID3518295
Molecular FormulaC14H13BrClNO4S
Molecular Weight406.69 g/mol
Exact Mass404.94
IUPAC Name5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1CO
InChIInChI=1S/C14H13BrClNO4S/c1-21-13-5-2-10(15)7-14(13)22(19,20)17-12-4-3-11(16)6-9(12)8-18/h2-7,17-18H,8H2,1H3
InChIKeyJKPWASJDNBWWQN-UHFFFAOYSA-N
XLogP3.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.69
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide
CID 3852204
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 155555207
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide
CID 3825537
N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 7938341
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43604964
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 84563791
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 74225212
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide (CID 3518295) is 5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1CO.
What is the InChIKey of 5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide?
The InChIKey is JKPWASJDNBWWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO4S/c1-21-13-5-2-10(15)7-14(13)22(19,20)17-12-4-3-11(16)6-9(12)8-18/h2-7,17-18H,8H2,1H3.
What are the key properties of 5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide has a molecular weight of 406.69 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 3518295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).