4-(2-chloropropyl)-N-propylbenzenesulfonamide

C12H18ClNO2S — CID 55220389

IUPAC4-(2-chloropropyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(CC(C)Cl)cc1
InChIInChI=1S/C12H18ClNO2S/c1-3-8-14-17(15,16)12-6-4-11(5-7-12)9-10(2)13/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyINVXSEFIFVCGGT-UHFFFAOYSA-N
MW275.80 g/mol
LogP2.54
Rot. Bonds6

About 4-(2-chloropropyl)-N-propylbenzenesulfonamide

4-(2-chloropropyl)-N-propylbenzenesulfonamide (PubChem CID 55220389) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is 4-(2-chloropropyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloropropyl)-N-propylbenzenesulfonamide
PubChem CID55220389
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name4-(2-chloropropyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(CC(C)Cl)cc1
InChIInChI=1S/C12H18ClNO2S/c1-3-8-14-17(15,16)12-6-4-11(5-7-12)9-10(2)13/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyINVXSEFIFVCGGT-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[2-(propylamino)butyl]benzenesulfonamide
CID 63202263
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 43605984
4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide
CID 63205177
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 119965037
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
4-(3-aminooxypropyl)-N-propylbenzenesulfonamide
CID 39371877
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
CID 57257139
CID 57257139
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropropyl)-N-propylbenzenesulfonamide?
The IUPAC name of 4-(2-chloropropyl)-N-propylbenzenesulfonamide (CID 55220389) is 4-(2-chloropropyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(2-chloropropyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(2-chloropropyl)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(CC(C)Cl)cc1.
What is the InChIKey of 4-(2-chloropropyl)-N-propylbenzenesulfonamide?
The InChIKey is INVXSEFIFVCGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-3-8-14-17(15,16)12-6-4-11(5-7-12)9-10(2)13/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of 4-(2-chloropropyl)-N-propylbenzenesulfonamide?
4-(2-chloropropyl)-N-propylbenzenesulfonamide has a molecular weight of 275.80 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropropyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 55220389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).