1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene

C15H19N3O2S — CID 43741934

IUPAC1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cccc(NCCCc2ccccc2)c1
InChIInChI=1S/C15H19N3O2S/c16-21(19,20)18-15-10-4-9-14(12-15)17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12,17-18H,5,8,11H2,(H2,16,19,20)
InChIKeyUYATZJBOKABZIJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.35
Rot. Bonds7

About 1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene

1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene (PubChem CID 43741934) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene
PubChem CID43741934
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cccc(NCCCc2ccccc2)c1
InChIInChI=1S/C15H19N3O2S/c16-21(19,20)18-15-10-4-9-14(12-15)17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12,17-18H,5,8,11H2,(H2,16,19,20)
InChIKeyUYATZJBOKABZIJ-UHFFFAOYSA-N
XLogP2.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(pentylamino)-3-(sulfamoylamino)benzene
CID 43741926
N-[3-(3-phenylpropylamino)phenyl]acetamide
CID 3022474
3-(3-phenylpropylamino)phenol
CID 28722963
3-N-(5-phenylpentyl)benzene-1,3-diamine
CID 59708329
tert-butyl N-[3-[3-(sulfamoylamino)anilino]propyl]carbamate
CID 103821849
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721
3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol
CID 67296624
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153
benzene;(sulfamoylamino)benzene
CID 174742453
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene?
The IUPAC name of 1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene (CID 43741934) is 1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene.
What is the SMILES notation for 1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene?
The canonical SMILES for 1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene is NS(=O)(=O)Nc1cccc(NCCCc2ccccc2)c1.
What is the InChIKey of 1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene?
The InChIKey is UYATZJBOKABZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-21(19,20)18-15-10-4-9-14(12-15)17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12,17-18H,5,8,11H2,(H2,16,19,20).
What are the key properties of 1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene?
1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene has a molecular weight of 305.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropylamino)-3-(sulfamoylamino)benzene is sourced from PubChem (CID 43741934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).