1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene

C11H18N2O4S — CID 114132190

IUPAC1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene
SMILESCOc1ccc(NS(=O)(=O)N(C)CCCO)cc1
InChIInChI=1S/C11H18N2O4S/c1-13(8-3-9-14)18(15,16)12-10-4-6-11(17-2)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3
InChIKeyJIXUGBJITMBPEW-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.67
Rot. Bonds7

About 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene

1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene (PubChem CID 114132190) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene
PubChem CID114132190
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene
SMILESCOc1ccc(NS(=O)(=O)N(C)CCCO)cc1
InChIInChI=1S/C11H18N2O4S/c1-13(8-3-9-14)18(15,16)12-10-4-6-11(17-2)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3
InChIKeyJIXUGBJITMBPEW-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106031237
2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene
CID 114134965
1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114132444
1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106053283
2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 18870810
1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene
CID 114261610
1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene
CID 114132823
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene
CID 106056051
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene
CID 54952240
N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981591
1-bromo-N-(4-methoxyphenyl)methanesulfonamide
CID 83093726
2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114135273

Frequently Asked Questions

What is the IUPAC name of 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene?
The IUPAC name of 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene (CID 114132190) is 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene.
What is the SMILES notation for 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene?
The canonical SMILES for 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene is COc1ccc(NS(=O)(=O)N(C)CCCO)cc1.
What is the InChIKey of 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene?
The InChIKey is JIXUGBJITMBPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-13(8-3-9-14)18(15,16)12-10-4-6-11(17-2)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3.
What are the key properties of 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene?
1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene has a molecular weight of 274.34 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene is sourced from PubChem (CID 114132190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).