1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene

C11H18N2O4S — CID 110777028

IUPAC1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H18N2O4S/c1-13(2)18(14,15)12-10-4-6-11(7-5-10)17-9-8-16-3/h4-7,12H,8-9H2,1-3H3
InChIKeyXJSXTYXYEUWAAF-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.93
Rot. Bonds7

About 1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene

1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene (PubChem CID 110777028) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene
PubChem CID110777028
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H18N2O4S/c1-13(2)18(14,15)12-10-4-6-11(7-5-10)17-9-8-16-3/h4-7,12H,8-9H2,1-3H3
InChIKeyXJSXTYXYEUWAAF-UHFFFAOYSA-N
XLogP0.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
CID 116815790
N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692703
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-(2-methoxyethoxy)benzenesulfonyl fluoride
CID 98661024
4-(dimethylsulfamoylamino)benzoic acid
CID 653734
4-(2-methoxyethoxy)-N-phenylaniline
CID 54357885
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
1-(dimethylsulfamoylamino)-4-formylbenzene
CID 58614334
N-(4-propoxyphenyl)ethanesulfonamide
CID 50895245
methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
CID 28638031

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene?
The IUPAC name of 1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene (CID 110777028) is 1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene?
The canonical SMILES for 1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene is COCCOc1ccc(NS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene?
The InChIKey is XJSXTYXYEUWAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-13(2)18(14,15)12-10-4-6-11(7-5-10)17-9-8-16-3/h4-7,12H,8-9H2,1-3H3.
What are the key properties of 1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene?
1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene has a molecular weight of 274.34 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene is sourced from PubChem (CID 110777028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).