1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene

C13H22N2O3S — CID 110288832

IUPAC1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene
SMILESCOc1ccc(CCCCNS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H22N2O3S/c1-15(2)19(16,17)14-11-5-4-6-12-7-9-13(18-3)10-8-12/h7-10,14H,4-6,11H2,1-3H3
InChIKeyAFYQOIDCNNIVHA-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.41
Rot. Bonds8

About 1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene

1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene (PubChem CID 110288832) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene
PubChem CID110288832
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene
SMILESCOc1ccc(CCCCNS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H22N2O3S/c1-15(2)19(16,17)14-11-5-4-6-12-7-9-13(18-3)10-8-12/h7-10,14H,4-6,11H2,1-3H3
InChIKeyAFYQOIDCNNIVHA-UHFFFAOYSA-N
XLogP1.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine
CID 110628005
N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16890891
1-[3-(dimethylsulfamoylamino)prop-1-ynyl]-4-methoxybenzene
CID 90553096
N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
CID 110288838
N-[4-(4-methoxyphenyl)butyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288844
1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584
N-[3-(4-methoxyphenyl)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110288674
1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
CID 113100115
1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene
CID 110288466
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
3-(dimethylsulfamoylamino)propoxybenzene
CID 35331180

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene?
The IUPAC name of 1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene (CID 110288832) is 1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene.
What is the SMILES notation for 1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene?
The canonical SMILES for 1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene is COc1ccc(CCCCNS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene?
The InChIKey is AFYQOIDCNNIVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-15(2)19(16,17)14-11-5-4-6-12-7-9-13(18-3)10-8-12/h7-10,14H,4-6,11H2,1-3H3.
What are the key properties of 1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene?
1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene has a molecular weight of 286.40 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene is sourced from PubChem (CID 110288832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).