4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide

C16H17Cl2N3O4S — CID 67572284

IUPAC4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide
SMILESNN(C(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H17Cl2N3O4S/c17-11-3-8-15(14(18)10-11)25-9-1-2-16(22)21(19)12-4-6-13(7-5-12)26(20,23)24/h3-8,10H,1-2,9,19H2,(H2,20,23,24)
InChIKeyDFEVNBVXUDQYBE-UHFFFAOYSA-N
MW418.30 g/mol
LogP2.71
Rot. Bonds7

About 4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide

4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide (PubChem CID 67572284) has the molecular formula C16H17Cl2N3O4S and a molecular weight of 418.30 g/mol. Its IUPAC name is 4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide
PubChem CID67572284
Molecular FormulaC16H17Cl2N3O4S
Molecular Weight418.30 g/mol
Exact Mass417.03
IUPAC Name4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide
SMILESNN(C(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H17Cl2N3O4S/c17-11-3-8-15(14(18)10-11)25-9-1-2-16(22)21(19)12-4-6-13(7-5-12)26(20,23)24/h3-8,10H,1-2,9,19H2,(H2,20,23,24)
InChIKeyDFEVNBVXUDQYBE-UHFFFAOYSA-N
XLogP2.71
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 24538199
4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218645
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 4181980
N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 19218656
4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide
CID 162432622
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735
N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
CID 67990189
3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473013

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide?
The IUPAC name of 4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide (CID 67572284) is 4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide is NN(C(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide?
The InChIKey is DFEVNBVXUDQYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O4S/c17-11-3-8-15(14(18)10-11)25-9-1-2-16(22)21(19)12-4-6-13(7-5-12)26(20,23)24/h3-8,10H,1-2,9,19H2,(H2,20,23,24).
What are the key properties of 4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide?
4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide has a molecular weight of 418.30 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide is sourced from PubChem (CID 67572284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).