N-(3-chloropropyl)-4-cyanobenzenesulfonamide

C10H11ClN2O2S — CID 43133775

IUPACN-(3-chloropropyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCCl)cc1
InChIInChI=1S/C10H11ClN2O2S/c11-6-1-7-13-16(14,15)10-4-2-9(8-12)3-5-10/h2-5,13H,1,6-7H2
InChIKeyWSRLUQULYWLVLV-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.47
Rot. Bonds5

About N-(3-chloropropyl)-4-cyanobenzenesulfonamide

N-(3-chloropropyl)-4-cyanobenzenesulfonamide (PubChem CID 43133775) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is N-(3-chloropropyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-4-cyanobenzenesulfonamide
PubChem CID43133775
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC NameN-(3-chloropropyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCCl)cc1
InChIInChI=1S/C10H11ClN2O2S/c11-6-1-7-13-16(14,15)10-4-2-9(8-12)3-5-10/h2-5,13H,1,6-7H2
InChIKeyWSRLUQULYWLVLV-UHFFFAOYSA-N
XLogP1.47
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.47
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

N-butyl-4-cyanobenzenesulfonamide
CID 3555489
4-cyano-N-pent-4-ynylbenzenesulfonamide
CID 103698045
N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide
CID 177415345
6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
CID 28530885
N-(3-chloropropyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998775
4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727913
4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844122
N-(2-tert-butylsulfanylethyl)-4-cyanobenzenesulfonamide
CID 2805758
4-bromo-N-(5-chloropentyl)benzenesulfonamide
CID 107322747
4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109058795
2-[(4-cyanophenyl)sulfonylamino]acetamide
CID 4844985
4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 60723752

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(3-chloropropyl)-4-cyanobenzenesulfonamide (CID 43133775) is N-(3-chloropropyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(3-chloropropyl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCCCl)cc1.
What is the InChIKey of N-(3-chloropropyl)-4-cyanobenzenesulfonamide?
The InChIKey is WSRLUQULYWLVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c11-6-1-7-13-16(14,15)10-4-2-9(8-12)3-5-10/h2-5,13H,1,6-7H2.
What are the key properties of N-(3-chloropropyl)-4-cyanobenzenesulfonamide?
N-(3-chloropropyl)-4-cyanobenzenesulfonamide has a molecular weight of 258.73 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 43133775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).