1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene

C12H20N2O3S — CID 114132823

IUPAC1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene
SMILESCc1ccc(NS(=O)(=O)N(C)CCCO)c(C)c1
InChIInChI=1S/C12H20N2O3S/c1-10-5-6-12(11(2)9-10)13-18(16,17)14(3)7-4-8-15/h5-6,9,13,15H,4,7-8H2,1-3H3
InChIKeyXXBASIWVLGVZNC-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.27
Rot. Bonds6

About 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene

1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene (PubChem CID 114132823) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene
PubChem CID114132823
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene
SMILESCc1ccc(NS(=O)(=O)N(C)CCCO)c(C)c1
InChIInChI=1S/C12H20N2O3S/c1-10-5-6-12(11(2)9-10)13-18(16,17)14(3)7-4-8-15/h5-6,9,13,15H,4,7-8H2,1-3H3
InChIKeyXXBASIWVLGVZNC-UHFFFAOYSA-N
XLogP1.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)morpholine-4-sulfonamide
CID 2987046
N-(2,4-dimethylphenyl)piperidine-1-sulfonamide
CID 2988699
Phenethylamine, alpha,5-dimethyl-2-dimethylamino-, dihydrochloride, ethanoate
CID 3057523
[(Dimethylamino)sulfonyl](2,4-dimethylphenyl)amine
CID 4635398
4-(2,4-Dimethyl-phenylamino)-butan-1-ol
CID 3144572
1-(Dimethylsulfamoylamino)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzene
CID 54922497
1-(Diethylsulfamoylamino)-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzene
CID 60813749
1-(Dimethylsulfamoylamino)-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzene
CID 60813751
1-(Diethylsulfamoylamino)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzene
CID 60813762
N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]pyrrolidine-1-sulfonamide
CID 60813763
1-(Diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene
CID 60813925
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrrolidine-1-sulfonamide
CID 60813926

Frequently Asked Questions

What is the IUPAC name of 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene?
The IUPAC name of 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene (CID 114132823) is 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene?
The canonical SMILES for 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene is Cc1ccc(NS(=O)(=O)N(C)CCCO)c(C)c1.
What is the InChIKey of 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene?
The InChIKey is XXBASIWVLGVZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10-5-6-12(11(2)9-10)13-18(16,17)14(3)7-4-8-15/h5-6,9,13,15H,4,7-8H2,1-3H3.
What are the key properties of 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene?
1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene has a molecular weight of 272.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene is sourced from PubChem (CID 114132823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).