5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide

C11H13ClN2O3S — CID 43501630

IUPAC5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C11H13ClN2O3S/c1-2-10(7-15)14-18(16,17)11-5-9(12)4-3-8(11)6-13/h3-5,10,14-15H,2,7H2,1H3
InChIKeyLCOPJRXMPCVQFH-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.26
Rot. Bonds5

About 5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide

5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide (PubChem CID 43501630) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide
PubChem CID43501630
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C11H13ClN2O3S/c1-2-10(7-15)14-18(16,17)11-5-9(12)4-3-8(11)6-13/h3-5,10,14-15H,2,7H2,1H3
InChIKeyLCOPJRXMPCVQFH-UHFFFAOYSA-N
XLogP1.26
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide (CID 43501630) is 5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide is CCC(CO)NS(=O)(=O)c1cc(Cl)ccc1C#N.
What is the InChIKey of 5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The InChIKey is LCOPJRXMPCVQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-2-10(7-15)14-18(16,17)11-5-9(12)4-3-8(11)6-13/h3-5,10,14-15H,2,7H2,1H3.
What are the key properties of 5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide has a molecular weight of 288.76 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N-(1-hydroxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43501630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).