4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide

C12H13Cl2N5O3S — CID 167871892

IUPAC4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide
SMILESO=C(CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1cn[nH]n1
InChIInChI=1S/C12H13Cl2N5O3S/c13-9-4-3-8(6-10(9)14)23(21,22)16-5-1-2-12(20)17-11-7-15-19-18-11/h3-4,6-7,16H,1-2,5H2,(H2,15,17,18,19,20)
InChIKeyJLBVYRJHNLSJPV-UHFFFAOYSA-N
MW378.24 g/mol
LogP1.81
Rot. Bonds7

About 4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide

4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide (PubChem CID 167871892) has the molecular formula C12H13Cl2N5O3S and a molecular weight of 378.24 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide
PubChem CID167871892
Molecular FormulaC12H13Cl2N5O3S
Molecular Weight378.24 g/mol
Exact Mass377.01
IUPAC Name4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide
SMILESO=C(CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1cn[nH]n1
InChIInChI=1S/C12H13Cl2N5O3S/c13-9-4-3-8(6-10(9)14)23(21,22)16-5-1-2-12(20)17-11-7-15-19-18-11/h3-4,6-7,16H,1-2,5H2,(H2,15,17,18,19,20)
InChIKeyJLBVYRJHNLSJPV-UHFFFAOYSA-N
XLogP1.81
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
CID 107323042
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2402359
methyl 4-[(4-acetamido-3-chlorophenyl)sulfonylamino]butanoate
CID 3849516
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(3,4-dichlorophenyl)sulfonylamino]butanamide
CID 36804440
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
CID 64608025
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate
CID 7263204
3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698683

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide?
The IUPAC name of 4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide (CID 167871892) is 4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide?
The canonical SMILES for 4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide is O=C(CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1cn[nH]n1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide?
The InChIKey is JLBVYRJHNLSJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5O3S/c13-9-4-3-8(6-10(9)14)23(21,22)16-5-1-2-12(20)17-11-7-15-19-18-11/h3-4,6-7,16H,1-2,5H2,(H2,15,17,18,19,20).
What are the key properties of 4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide?
4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide has a molecular weight of 378.24 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)sulfonylamino]-N-(2H-triazol-4-yl)butanamide is sourced from PubChem (CID 167871892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).