2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide

C12H13ClN2O2S — CID 113485512

IUPAC2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc(C#N)ccc2Cl)CCC1
InChIInChI=1S/C12H13ClN2O2S/c1-12(5-2-6-12)15-18(16,17)11-7-9(8-14)3-4-10(11)13/h3-4,7,15H,2,5-6H2,1H3
InChIKeyODHNGXOOIHGSCO-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.43
Rot. Bonds3

About 2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide

2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide (PubChem CID 113485512) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide
PubChem CID113485512
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc(C#N)ccc2Cl)CCC1
InChIInChI=1S/C12H13ClN2O2S/c1-12(5-2-6-12)15-18(16,17)11-7-9(8-14)3-4-10(11)13/h3-4,7,15H,2,5-6H2,1H3
InChIKeyODHNGXOOIHGSCO-UHFFFAOYSA-N
XLogP2.43
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-2-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 115756395
2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 75500304
2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 80704617
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide
CID 113485393
2-chloro-5-cyano-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 104919307
N-[(1-aminocyclohexyl)methyl]-2-chloro-5-cyanobenzenesulfonamide
CID 80697074
2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide
CID 80703898
2-chloro-5-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83016262
2-chloro-5-cyano-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzenesulfonamide
CID 107389862
2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide
CID 80704539

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide (CID 113485512) is 2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide is CC1(NS(=O)(=O)c2cc(C#N)ccc2Cl)CCC1.
What is the InChIKey of 2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide?
The InChIKey is ODHNGXOOIHGSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-12(5-2-6-12)15-18(16,17)11-7-9(8-14)3-4-10(11)13/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide?
2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide has a molecular weight of 284.77 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-(1-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113485512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).