N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide

C14H22ClNO3S — CID 42065850

IUPACN-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide
SMILESCCCCOc1cc(S(=O)(=O)N[C@H](C)CC)ccc1Cl
InChIInChI=1S/C14H22ClNO3S/c1-4-6-9-19-14-10-12(7-8-13(14)15)20(17,18)16-11(3)5-2/h7-8,10-11,16H,4-6,9H2,1-3H3/t11-/m1/s1
InChIKeyGXLLUEWPEBBHSP-LLVKDONJSA-N
MW319.85 g/mol
LogP3.60
Rot. Bonds8

About N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide

N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide (PubChem CID 42065850) has the molecular formula C14H22ClNO3S and a molecular weight of 319.85 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide
PubChem CID42065850
Molecular FormulaC14H22ClNO3S
Molecular Weight319.85 g/mol
Exact Mass319.10
IUPAC NameN-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide
SMILESCCCCOc1cc(S(=O)(=O)N[C@H](C)CC)ccc1Cl
InChIInChI=1S/C14H22ClNO3S/c1-4-6-9-19-14-10-12(7-8-13(14)15)20(17,18)16-11(3)5-2/h7-8,10-11,16H,4-6,9H2,1-3H3/t11-/m1/s1
InChIKeyGXLLUEWPEBBHSP-LLVKDONJSA-N
XLogP3.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.85
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butoxy-4-chlorobenzenesulfonyl chloride
CID 50876022
N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539
N-[(2R)-butan-2-yl]-5-chloro-4-methyl-2-pentoxybenzenesulfonamide
CID 42065856
3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35202750
3-butoxy-4-chloro-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 35202724
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
4-butoxy-N-[(1R)-1-phenylethyl]-3-propan-2-ylbenzenesulfonamide
CID 124680588
4-chloro-3-pentoxy-N-pyridin-2-ylbenzenesulfonamide
CID 35203130
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-chloro-3-ethoxy-N-ethylbenzenesulfonamide
CID 6459389
4-amino-3-chloro-N-heptan-2-ylbenzenesulfonamide
CID 115329836
4-butoxy-N-(2-hydroxyethyl)-3-propan-2-ylbenzenesulfonamide
CID 50876538

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide (CID 42065850) is N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide is CCCCOc1cc(S(=O)(=O)N[C@H](C)CC)ccc1Cl.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide?
The InChIKey is GXLLUEWPEBBHSP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22ClNO3S/c1-4-6-9-19-14-10-12(7-8-13(14)15)20(17,18)16-11(3)5-2/h7-8,10-11,16H,4-6,9H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide?
N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide has a molecular weight of 319.85 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide is sourced from PubChem (CID 42065850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).