1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene

C14H25N3O3S — CID 63238378

IUPAC1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene
SMILESCCCN(CCC)S(=O)(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C14H25N3O3S/c1-3-10-17(11-4-2)21(18,19)16-9-12-20-14-7-5-13(15)6-8-14/h5-8,16H,3-4,9-12,15H2,1-2H3
InChIKeyDSNQGBVBWIIAJB-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.60
Rot. Bonds10

About 1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene

1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene (PubChem CID 63238378) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene.

Molecular Properties

Compound Name1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene
PubChem CID63238378
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene
SMILESCCCN(CCC)S(=O)(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C14H25N3O3S/c1-3-10-17(11-4-2)21(18,19)16-9-12-20-14-7-5-13(15)6-8-14/h5-8,16H,3-4,9-12,15H2,1-2H3
InChIKeyDSNQGBVBWIIAJB-UHFFFAOYSA-N
XLogP1.60
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene
CID 63237275
1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene
CID 87032676
ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate
CID 114461663
1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
CID 113100115
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
1-[2-(dimethylsulfamoylamino)ethoxy]-4-fluorobenzene
CID 35617109
1-amino-2-[[2-methoxyethylsulfamoyl(propyl)amino]methyl]benzene
CID 114814057
N-[2-(4-aminophenoxy)ethyl]-methyl-N-propylboronamidic acid
CID 59917836
1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene
CID 46406417
1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 39372778
4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
CID 9157994
4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157907

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene?
The IUPAC name of 1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene (CID 63238378) is 1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene.
What is the SMILES notation for 1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene?
The canonical SMILES for 1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene is CCCN(CCC)S(=O)(=O)NCCOc1ccc(N)cc1.
What is the InChIKey of 1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene?
The InChIKey is DSNQGBVBWIIAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-3-10-17(11-4-2)21(18,19)16-9-12-20-14-7-5-13(15)6-8-14/h5-8,16H,3-4,9-12,15H2,1-2H3.
What are the key properties of 1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene?
1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene has a molecular weight of 315.44 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene is sourced from PubChem (CID 63238378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).