4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide

C11H16ClNO2S — CID 63205177

IUPAC4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide
SMILESCC(Cl)Cc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H16ClNO2S/c1-9(12)8-10-4-6-11(7-5-10)16(14,15)13(2)3/h4-7,9H,8H2,1-3H3
InChIKeyURRMGJHWMMYOSJ-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.11
Rot. Bonds4

About 4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide

4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 63205177) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide
PubChem CID63205177
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide
SMILESCC(Cl)Cc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H16ClNO2S/c1-9(12)8-10-4-6-11(7-5-10)16(14,15)13(2)3/h4-7,9H,8H2,1-3H3
InChIKeyURRMGJHWMMYOSJ-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
N,N-dimethyl-4-[3-methyl-2-(methylamino)butyl]benzenesulfonamide
CID 63202313
4-(2-hydroxybutyl)-N,N-dimethylbenzenesulfonamide
CID 55163578
4-(2-chloropropyl)-N,N-dimethyl-3-nitrobenzenesulfonamide
CID 63205710
[4-(dimethylsulfamoyl)phenyl]methanesulfonic acid
CID 175413171
4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59667875
4-(bromomethyl)benzenesulfonyl chloride;4-(bromomethyl)-N,N-dimethylbenzenesulfonamide
CID 161423385
4-(2-chloropropyl)-N-propylbenzenesulfonamide
CID 55220389
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074
N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 97083157
4-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylbenzenesulfonamide
CID 63197602

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide (CID 63205177) is 4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide is CC(Cl)Cc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is URRMGJHWMMYOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-9(12)8-10-4-6-11(7-5-10)16(14,15)13(2)3/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide?
4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 261.77 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 63205177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).