3-methyl-4-sulfamoylbenzenesulfonyl chloride

C7H8ClNO4S2 — CID 63179688

IUPAC3-methyl-4-sulfamoylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C7H8ClNO4S2/c1-5-4-6(14(8,10)11)2-3-7(5)15(9,12)13/h2-4H,1H3,(H2,9,12,13)
InChIKeyRWDMADRIEKPIPJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.57
Rot. Bonds2

About 3-methyl-4-sulfamoylbenzenesulfonyl chloride

3-methyl-4-sulfamoylbenzenesulfonyl chloride (PubChem CID 63179688) has the molecular formula C7H8ClNO4S2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-methyl-4-sulfamoylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-methyl-4-sulfamoylbenzenesulfonyl chloride
PubChem CID63179688
Molecular FormulaC7H8ClNO4S2
Molecular Weight269.73 g/mol
Exact Mass268.96
IUPAC Name3-methyl-4-sulfamoylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C7H8ClNO4S2/c1-5-4-6(14(8,10)11)2-3-7(5)15(9,12)13/h2-4H,1H3,(H2,9,12,13)
InChIKeyRWDMADRIEKPIPJ-UHFFFAOYSA-N
XLogP0.57
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,2-dimethylbenzene-1,4-disulfonamide
CID 162500455
4-(3-aminophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 54172567
3-hydroxy-4-methylbenzenesulfonyl chloride
CID 55279954
(3-methyl-4-sulfamoylphenyl)boronic acid
CID 67451826
2-methyl-4-(methylamino)benzenesulfonamide
CID 71282580
4-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 18629047
3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 82307263
2,4,5-trimethylbenzenesulfonamide
CID 961422
4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride
CID 23452824
4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
CID 43436537
4-methyl-3-(4-methylphenyl)sulfonylbenzenesulfonyl chloride
CID 54521473
2-methyl-5-methylsulfonylbenzenesulfonamide
CID 597880

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-sulfamoylbenzenesulfonyl chloride?
The IUPAC name of 3-methyl-4-sulfamoylbenzenesulfonyl chloride (CID 63179688) is 3-methyl-4-sulfamoylbenzenesulfonyl chloride.
What is the SMILES notation for 3-methyl-4-sulfamoylbenzenesulfonyl chloride?
The canonical SMILES for 3-methyl-4-sulfamoylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)ccc1S(N)(=O)=O.
What is the InChIKey of 3-methyl-4-sulfamoylbenzenesulfonyl chloride?
The InChIKey is RWDMADRIEKPIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO4S2/c1-5-4-6(14(8,10)11)2-3-7(5)15(9,12)13/h2-4H,1H3,(H2,9,12,13).
What are the key properties of 3-methyl-4-sulfamoylbenzenesulfonyl chloride?
3-methyl-4-sulfamoylbenzenesulfonyl chloride has a molecular weight of 269.73 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-sulfamoylbenzenesulfonyl chloride is sourced from PubChem (CID 63179688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).