5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide

C12H18N2O4S — CID 62333140

IUPAC5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(C)O)cc1C(N)=O
InChIInChI=1S/C12H18N2O4S/c1-8-4-5-10(6-11(8)12(13)16)19(17,18)14(3)7-9(2)15/h4-6,9,15H,7H2,1-3H3,(H2,13,16)
InChIKeySHSZNCWTMMAOIH-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.10
Rot. Bonds5

About 5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide

5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide (PubChem CID 62333140) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
PubChem CID62333140
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(C)O)cc1C(N)=O
InChIInChI=1S/C12H18N2O4S/c1-8-4-5-10(6-11(8)12(13)16)19(17,18)14(3)7-9(2)15/h4-6,9,15H,7H2,1-3H3,(H2,13,16)
InChIKeySHSZNCWTMMAOIH-UHFFFAOYSA-N
XLogP0.10
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide
CID 34040667
5-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-2-methylbenzamide
CID 115902665
3-[(3,4-dimethylphenyl)sulfonyl-methylamino]-2-methylpropanethioamide
CID 54991874
5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide
CID 34035463
5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 43263312
2-methyl-5-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]benzamide
CID 64517256
2-fluoro-5-[2-hydroxypropyl(methyl)sulfamoyl]-3-methylbenzoic acid
CID 81435613
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007
3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 115329228
3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55061064
5-[2-(2-hydroxypropylamino)ethylsulfamoyl]-2-methylbenzamide
CID 104593933
5-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzoic acid
CID 43215455

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide (CID 62333140) is 5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)N(C)CC(C)O)cc1C(N)=O.
What is the InChIKey of 5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is SHSZNCWTMMAOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8-4-5-10(6-11(8)12(13)16)19(17,18)14(3)7-9(2)15/h4-6,9,15H,7H2,1-3H3,(H2,13,16).
What are the key properties of 5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide?
5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 62333140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).