3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide

C11H15ClN2O5S2 — CID 107100939

IUPAC3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
SMILESCc1c(Cl)cc(S(N)(=O)=O)cc1C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C11H15ClN2O5S2/c1-7-9(11(15)14-3-4-20(2,16)17)5-8(6-10(7)12)21(13,18)19/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,13,18,19)
InChIKeySKAQQQMSSDWRNN-UHFFFAOYSA-N
MW354.84 g/mol
LogP0.07
Rot. Bonds5

About 3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide

3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide (PubChem CID 107100939) has the molecular formula C11H15ClN2O5S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
PubChem CID107100939
Molecular FormulaC11H15ClN2O5S2
Molecular Weight354.84 g/mol
Exact Mass354.01
IUPAC Name3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
SMILESCc1c(Cl)cc(S(N)(=O)=O)cc1C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C11H15ClN2O5S2/c1-7-9(11(15)14-3-4-20(2,16)17)5-8(6-10(7)12)21(13,18)19/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,13,18,19)
InChIKeySKAQQQMSSDWRNN-UHFFFAOYSA-N
XLogP0.07
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
CID 107100880
3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide
CID 107101066
3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 65386461
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898
3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide
CID 107101056
2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 62045621
3-chloro-2-methyl-N-(1-methylsulfinylpropan-2-yl)-5-sulfamoylbenzamide
CID 107101053
3-chloro-N-(1-cyclobutylethyl)-2-methyl-5-sulfamoylbenzamide
CID 107101061
3-chloro-4-methyl-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 107100668
3-methoxypropyl 3-chloro-2-methyl-5-sulfamoylbenzoate
CID 107101090
3-chloro-5-(2-ethylsulfinylethylcarbamoyl)-4-methylbenzenesulfonyl chloride
CID 107100767
3-chloro-4-methyl-5-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 107100736

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide (CID 107100939) is 3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide is Cc1c(Cl)cc(S(N)(=O)=O)cc1C(=O)NCCS(C)(=O)=O.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide?
The InChIKey is SKAQQQMSSDWRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O5S2/c1-7-9(11(15)14-3-4-20(2,16)17)5-8(6-10(7)12)21(13,18)19/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,13,18,19).
What are the key properties of 3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide?
3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide has a molecular weight of 354.84 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 107100939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).