3-amino-4-(3-phenylpropylamino)benzenesulfonamide

C15H19N3O2S — CID 60906277

IUPAC3-amino-4-(3-phenylpropylamino)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1NCCCc1ccccc1
InChIInChI=1S/C15H19N3O2S/c16-14-11-13(21(17,19)20)8-9-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10,16H2,(H2,17,19,20)
InChIKeyZYDCNOXPHRLEQT-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.96
Rot. Bonds6

About 3-amino-4-(3-phenylpropylamino)benzenesulfonamide

3-amino-4-(3-phenylpropylamino)benzenesulfonamide (PubChem CID 60906277) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-4-(3-phenylpropylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(3-phenylpropylamino)benzenesulfonamide
PubChem CID60906277
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-4-(3-phenylpropylamino)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1NCCCc1ccccc1
InChIInChI=1S/C15H19N3O2S/c16-14-11-13(21(17,19)20)8-9-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10,16H2,(H2,17,19,20)
InChIKeyZYDCNOXPHRLEQT-UHFFFAOYSA-N
XLogP1.96
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333712
3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide
CID 79756339
3-amino-4-(4-methylsulfanylbutylamino)benzenesulfonamide
CID 113487240
3-amino-4-[(3-chlorophenyl)methylamino]benzenesulfonamide
CID 62538734
3-amino-4-[(3-methylphenyl)methylamino]benzenesulfonamide
CID 60904104
3-amino-4-[[3-(hydroxymethyl)phenyl]methylamino]benzenesulfonamide
CID 107231809
2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931336
N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide
CID 43552749
3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
2-chloro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54944572
3-amino-4-[(3-cyanophenyl)methylamino]benzenesulfonamide
CID 62312013
3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 43153449

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-phenylpropylamino)benzenesulfonamide?
The IUPAC name of 3-amino-4-(3-phenylpropylamino)benzenesulfonamide (CID 60906277) is 3-amino-4-(3-phenylpropylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-(3-phenylpropylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-4-(3-phenylpropylamino)benzenesulfonamide is Nc1cc(S(N)(=O)=O)ccc1NCCCc1ccccc1.
What is the InChIKey of 3-amino-4-(3-phenylpropylamino)benzenesulfonamide?
The InChIKey is ZYDCNOXPHRLEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-14-11-13(21(17,19)20)8-9-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10,16H2,(H2,17,19,20).
What are the key properties of 3-amino-4-(3-phenylpropylamino)benzenesulfonamide?
3-amino-4-(3-phenylpropylamino)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-phenylpropylamino)benzenesulfonamide is sourced from PubChem (CID 60906277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).