3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide

C15H19N3O2S — CID 63011085

IUPAC3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide
SMILESCC(Cc1ccccc1)Nc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C15H19N3O2S/c1-11(7-12-5-3-2-4-6-12)18-14-8-13(16)9-15(10-14)21(17,19)20/h2-6,8-11,18H,7,16H2,1H3,(H2,17,19,20)
InChIKeyTZLHMHQCULKGGU-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.96
Rot. Bonds5

About 3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide

3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide (PubChem CID 63011085) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide
PubChem CID63011085
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide
SMILESCC(Cc1ccccc1)Nc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C15H19N3O2S/c1-11(7-12-5-3-2-4-6-12)18-14-8-13(16)9-15(10-14)21(17,19)20/h2-6,8-11,18H,7,16H2,1H3,(H2,17,19,20)
InChIKeyTZLHMHQCULKGGU-UHFFFAOYSA-N
XLogP1.96
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide
CID 61469316
3-amino-5-(propan-2-ylamino)benzenesulfonamide
CID 60987493
3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 54887840
3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide
CID 63182440
3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide
CID 60986935
3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
CID 61476143
3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide
CID 60986703
2,6-dimethyl-N-(1-phenylpropan-2-yl)pyridin-4-amine
CID 114272175
3-amino-5-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568413
3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 55122010
3-amino-5-(4-ethylanilino)benzenesulfonamide
CID 60987876
3-amino-5-(1-cyclopropylbutan-2-ylamino)benzenesulfonamide
CID 63995222

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide?
The IUPAC name of 3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide (CID 63011085) is 3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide is CC(Cc1ccccc1)Nc1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide?
The InChIKey is TZLHMHQCULKGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11(7-12-5-3-2-4-6-12)18-14-8-13(16)9-15(10-14)21(17,19)20/h2-6,8-11,18H,7,16H2,1H3,(H2,17,19,20).
What are the key properties of 3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide?
3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-phenylpropan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 63011085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).