3-chloro-5-(propylsulfonylamino)benzoyl chloride

C10H11Cl2NO3S — CID 164939013

IUPAC3-chloro-5-(propylsulfonylamino)benzoyl chloride
SMILESCCCS(=O)(=O)Nc1cc(Cl)cc(C(=O)Cl)c1
InChIInChI=1S/C10H11Cl2NO3S/c1-2-3-17(15,16)13-9-5-7(10(12)14)4-8(11)6-9/h4-6,13H,2-3H2,1H3
InChIKeyQOMBCROVAHSBHM-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.87
Rot. Bonds5

About 3-chloro-5-(propylsulfonylamino)benzoyl chloride

3-chloro-5-(propylsulfonylamino)benzoyl chloride (PubChem CID 164939013) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is 3-chloro-5-(propylsulfonylamino)benzoyl chloride.

Molecular Properties

Compound Name3-chloro-5-(propylsulfonylamino)benzoyl chloride
PubChem CID164939013
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Name3-chloro-5-(propylsulfonylamino)benzoyl chloride
SMILESCCCS(=O)(=O)Nc1cc(Cl)cc(C(=O)Cl)c1
InChIInChI=1S/C10H11Cl2NO3S/c1-2-3-17(15,16)13-9-5-7(10(12)14)4-8(11)6-9/h4-6,13H,2-3H2,1H3
InChIKeyQOMBCROVAHSBHM-UHFFFAOYSA-N
XLogP2.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(propylsulfonylamino)benzene-1,3-dicarboxylate
CID 140695291
3-chloro-5-(methylsulfonylmethylsulfonylamino)benzoic acid
CID 82839718
3-methyl-5-(propylsulfonylamino)benzoic acid
CID 135240284
methyl 3-ethynyl-5-(propylsulfonylamino)benzoate
CID 167752440
N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide
CID 36766369
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide
CID 113436723
N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide
CID 170104579
N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141118
[2-(4-chloroanilino)-2-oxoethyl] 3-(propylsulfonylamino)benzoate
CID 55552969
3-bromo-5-chlorobenzoyl chloride
CID 50998129
N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide
CID 36709710

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(propylsulfonylamino)benzoyl chloride?
The IUPAC name of 3-chloro-5-(propylsulfonylamino)benzoyl chloride (CID 164939013) is 3-chloro-5-(propylsulfonylamino)benzoyl chloride.
What is the SMILES notation for 3-chloro-5-(propylsulfonylamino)benzoyl chloride?
The canonical SMILES for 3-chloro-5-(propylsulfonylamino)benzoyl chloride is CCCS(=O)(=O)Nc1cc(Cl)cc(C(=O)Cl)c1.
What is the InChIKey of 3-chloro-5-(propylsulfonylamino)benzoyl chloride?
The InChIKey is QOMBCROVAHSBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c1-2-3-17(15,16)13-9-5-7(10(12)14)4-8(11)6-9/h4-6,13H,2-3H2,1H3.
What are the key properties of 3-chloro-5-(propylsulfonylamino)benzoyl chloride?
3-chloro-5-(propylsulfonylamino)benzoyl chloride has a molecular weight of 296.18 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(propylsulfonylamino)benzoyl chloride is sourced from PubChem (CID 164939013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).