2-chloro-4-(methoxymethyl)benzenesulfonamide

C8H10ClNO3S — CID 83271453

IUPAC2-chloro-4-(methoxymethyl)benzenesulfonamide
SMILESCOCc1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C8H10ClNO3S/c1-13-5-6-2-3-8(7(9)4-6)14(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyCLBUWHFZHGQWKO-UHFFFAOYSA-N
MW235.69 g/mol
LogP1.13
Rot. Bonds3

About 2-chloro-4-(methoxymethyl)benzenesulfonamide

2-chloro-4-(methoxymethyl)benzenesulfonamide (PubChem CID 83271453) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is 2-chloro-4-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-(methoxymethyl)benzenesulfonamide
PubChem CID83271453
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Name2-chloro-4-(methoxymethyl)benzenesulfonamide
SMILESCOCc1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C8H10ClNO3S/c1-13-5-6-2-3-8(7(9)4-6)14(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyCLBUWHFZHGQWKO-UHFFFAOYSA-N
XLogP1.13
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(cyanomethyl)benzenesulfonamide
CID 83271769
2-chloro-5-(methoxymethyl)aniline
CID 43349916
4-amino-2-chlorobenzenesulfonamide
CID 12533522
4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide
CID 63985143
4-fluoro-2-(methoxymethyl)benzenesulfonamide
CID 83271454
5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide
CID 62103693
2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate
CID 65380265
1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride
CID 87637876
methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate
CID 19812513
methyl 4-(3-chloro-4-sulfamoylphenyl)but-3-ynoate
CID 170470135
5-[[tert-butyl-methyl-(methylamino)-λ4-sulfanyl]oxymethyl]-2-chlorobenzenesulfonamide
CID 144774902
3-methoxypropyl 2,4-dichloro-5-sulfamoylbenzoate
CID 65381030

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methoxymethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-(methoxymethyl)benzenesulfonamide (CID 83271453) is 2-chloro-4-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-(methoxymethyl)benzenesulfonamide is COCc1ccc(S(N)(=O)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(methoxymethyl)benzenesulfonamide?
The InChIKey is CLBUWHFZHGQWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c1-13-5-6-2-3-8(7(9)4-6)14(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12).
What are the key properties of 2-chloro-4-(methoxymethyl)benzenesulfonamide?
2-chloro-4-(methoxymethyl)benzenesulfonamide has a molecular weight of 235.69 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 83271453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).