2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide

C11H13ClN2O3S — CID 102697491

IUPAC2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C11H13ClN2O3S/c1-8(17-2)7-14-18(15,16)11-4-3-9(6-13)5-10(11)12/h3-5,8,14H,7H2,1-2H3
InChIKeyHMFYQEWJEAHWDE-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.52
Rot. Bonds5

About 2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide

2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide (PubChem CID 102697491) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
PubChem CID102697491
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C11H13ClN2O3S/c1-8(17-2)7-14-18(15,16)11-4-3-9(6-13)5-10(11)12/h3-5,8,14H,7H2,1-2H3
InChIKeyHMFYQEWJEAHWDE-UHFFFAOYSA-N
XLogP1.52
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102694330
2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 103989185
2-chloro-4-cyano-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 103988819
2-chloro-5-cyano-N-(2,3-dimethoxypropyl)benzenesulfonamide
CID 104919448
3-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102697592
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-chloro-4-cyanobenzenesulfonamide
CID 103989367
2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide
CID 80704391
2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 103989875
2-chloro-4-cyano-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
CID 114942473
2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
CID 102701358
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
N-but-3-yn-2-yl-2-chloro-4-cyanobenzenesulfonamide
CID 114419165

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide (CID 102697491) is 2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide is COC(C)CNS(=O)(=O)c1ccc(C#N)cc1Cl.
What is the InChIKey of 2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide?
The InChIKey is HMFYQEWJEAHWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-8(17-2)7-14-18(15,16)11-4-3-9(6-13)5-10(11)12/h3-5,8,14H,7H2,1-2H3.
What are the key properties of 2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide?
2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide has a molecular weight of 288.76 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 102697491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).