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

C11H13ClN2O3S — CID 104868959

IUPAC2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C11H13ClN2O3S/c1-2-9(7-15)14-18(16,17)11-5-8(6-13)3-4-10(11)12/h3-5,9,14-15H,2,7H2,1H3/t9-/m1/s1
InChIKeyGOZHYTYCZNCQPP-SECBINFHSA-N
MW288.76 g/mol
LogP1.26
Rot. Bonds5

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

2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 104868959) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID104868959
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C11H13ClN2O3S/c1-2-9(7-15)14-18(16,17)11-5-8(6-13)3-4-10(11)12/h3-5,9,14-15H,2,7H2,1H3/t9-/m1/s1
InChIKeyGOZHYTYCZNCQPP-SECBINFHSA-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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Related Compounds

2-chloro-5-cyano-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 80704766
2-chloro-4-cyano-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 103989511
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-nitrobenzenesulfonamide
CID 104982011
4-chloro-3-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]benzoic acid
CID 107216345
2-chloro-5-cyano-N-hex-1-yn-3-ylbenzenesulfonamide
CID 106898810
2-chloro-5-cyano-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 80704020
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-4-cyano-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 103990107
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide
CID 105061056
2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 103989875
2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270424
2-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93084103

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 104868959) is 2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@H](CO)NS(=O)(=O)c1cc(C#N)ccc1Cl.
What is the InChIKey of 2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is GOZHYTYCZNCQPP-SECBINFHSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-2-9(7-15)14-18(16,17)11-5-8(6-13)3-4-10(11)12/h3-5,9,14-15H,2,7H2,1H3/t9-/m1/s1.
What are the key properties of 2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
2-chloro-5-cyano-N-[(2R)-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 2-chloro-5-cyano-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 104868959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).