4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide

C11H16ClNO3S — CID 25263460

IUPAC4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO3S/c1-8(2)11(7-14)13-17(15,16)10-5-3-9(12)4-6-10/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m1/s1
InChIKeyKZEQKSIAOOVMTQ-LLVKDONJSA-N
MW277.77 g/mol
LogP1.64
Rot. Bonds5

About 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide

4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide (PubChem CID 25263460) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
PubChem CID25263460
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO3S/c1-8(2)11(7-14)13-17(15,16)10-5-3-9(12)4-6-10/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m1/s1
InChIKeyKZEQKSIAOOVMTQ-LLVKDONJSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide (CID 25263460) is 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide is CC(C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide?
The InChIKey is KZEQKSIAOOVMTQ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-8(2)11(7-14)13-17(15,16)10-5-3-9(12)4-6-10/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide?
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 25263460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).