4-(2-chloroacetyl)-N-pentylbenzenesulfonamide

C13H18ClNO3S — CID 82165572

IUPAC4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(=O)CCl)cc1
InChIInChI=1S/C13H18ClNO3S/c1-2-3-4-9-15-19(17,18)12-7-5-11(6-8-12)13(16)10-14/h5-8,15H,2-4,9-10H2,1H3
InChIKeyPOLWLFUSYBFLPD-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.58
Rot. Bonds8

About 4-(2-chloroacetyl)-N-pentylbenzenesulfonamide

4-(2-chloroacetyl)-N-pentylbenzenesulfonamide (PubChem CID 82165572) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-(2-chloroacetyl)-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
PubChem CID82165572
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(C(=O)CCl)cc1
InChIInChI=1S/C13H18ClNO3S/c1-2-3-4-9-15-19(17,18)12-7-5-11(6-8-12)13(16)10-14/h5-8,15H,2-4,9-10H2,1H3
InChIKeyPOLWLFUSYBFLPD-UHFFFAOYSA-N
XLogP2.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(butylsulfamoyl)benzoyl chloride
CID 91736822
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059171
N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide
CID 109061392
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-tridecylbenzenesulfonamide
CID 3514704
N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide
CID 94779348
2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4105692
2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 3354024
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroacetyl)-N-pentylbenzenesulfonamide?
The IUPAC name of 4-(2-chloroacetyl)-N-pentylbenzenesulfonamide (CID 82165572) is 4-(2-chloroacetyl)-N-pentylbenzenesulfonamide.
What is the SMILES notation for 4-(2-chloroacetyl)-N-pentylbenzenesulfonamide?
The canonical SMILES for 4-(2-chloroacetyl)-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(C(=O)CCl)cc1.
What is the InChIKey of 4-(2-chloroacetyl)-N-pentylbenzenesulfonamide?
The InChIKey is POLWLFUSYBFLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-2-3-4-9-15-19(17,18)12-7-5-11(6-8-12)13(16)10-14/h5-8,15H,2-4,9-10H2,1H3.
What are the key properties of 4-(2-chloroacetyl)-N-pentylbenzenesulfonamide?
4-(2-chloroacetyl)-N-pentylbenzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroacetyl)-N-pentylbenzenesulfonamide is sourced from PubChem (CID 82165572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).