3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide

C10H10Cl2N2O2S — CID 61123449

IUPAC3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide
SMILESCCC(C#N)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2O2S/c1-2-7(6-13)14-17(15,16)8-3-4-9(11)10(12)5-8/h3-5,7,14H,2H2,1H3
InChIKeyRNIPSWLGYBHRAE-UHFFFAOYSA-N
MW293.18 g/mol
LogP2.57
Rot. Bonds4

About 3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide

3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide (PubChem CID 61123449) has the molecular formula C10H10Cl2N2O2S and a molecular weight of 293.18 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide
PubChem CID61123449
Molecular FormulaC10H10Cl2N2O2S
Molecular Weight293.18 g/mol
Exact Mass291.98
IUPAC Name3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide
SMILESCCC(C#N)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2O2S/c1-2-7(6-13)14-17(15,16)8-3-4-9(11)10(12)5-8/h3-5,7,14H,2H2,1H3
InChIKeyRNIPSWLGYBHRAE-UHFFFAOYSA-N
XLogP2.57
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.18
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-cyanopropylsulfamoyl)benzenesulfonyl fluoride
CID 126819584
3-chloro-N-(1-cyanopropyl)-4-methyl-5-nitrobenzenesulfonamide
CID 61124058
N-(1-cyanopropyl)-4-methyl-3-nitrobenzenesulfonamide
CID 61124056
3-amino-4-chloro-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106223680
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 21078673
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
3-chloro-N-[(1R)-1-cyanoethyl]-4-fluorobenzenesulfonamide
CID 97061579
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide (CID 61123449) is 3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide is CCC(C#N)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide?
The InChIKey is RNIPSWLGYBHRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2S/c1-2-7(6-13)14-17(15,16)8-3-4-9(11)10(12)5-8/h3-5,7,14H,2H2,1H3.
What are the key properties of 3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide?
3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide has a molecular weight of 293.18 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide is sourced from PubChem (CID 61123449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).