2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide

C12H13ClN2O2S — CID 103988900

IUPAC2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1
InChIInChI=1S/C12H13ClN2O2S/c1-8(10-3-4-10)15-18(16,17)12-5-2-9(7-14)6-11(12)13/h2,5-6,8,10,15H,3-4H2,1H3
InChIKeyVZSCWJDEMHCYIW-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.29
Rot. Bonds4

About 2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide

2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide (PubChem CID 103988900) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide
PubChem CID103988900
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1
InChIInChI=1S/C12H13ClN2O2S/c1-8(10-3-4-10)15-18(16,17)12-5-2-9(7-14)6-11(12)13/h2,5-6,8,10,15H,3-4H2,1H3
InChIKeyVZSCWJDEMHCYIW-UHFFFAOYSA-N
XLogP2.29
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 103989534
2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide
CID 80703898
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 106737922
N-but-3-yn-2-yl-2-chloro-4-cyanobenzenesulfonamide
CID 114419165
2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 103989875
2-chloro-4-cyano-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 103988819
3-chloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylbenzonitrile
CID 58394684
2-chloro-4-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 103988889
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937
2-chloro-4-cyano-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 103990107
2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103988860

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide (CID 103988900) is 2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1.
What is the InChIKey of 2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide?
The InChIKey is VZSCWJDEMHCYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-8(10-3-4-10)15-18(16,17)12-5-2-9(7-14)6-11(12)13/h2,5-6,8,10,15H,3-4H2,1H3.
What are the key properties of 2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide?
2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide has a molecular weight of 284.77 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide is sourced from PubChem (CID 103988900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).