3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride

C11H16ClNO4S2 — CID 43108680

IUPAC3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride
SMILESCCC(CC)NS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H16ClNO4S2/c1-3-9(4-2)13-19(16,17)11-7-5-6-10(8-11)18(12,14)15/h5-9,13H,3-4H2,1-2H3
InChIKeyJPAZMRMFZMIOQN-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.08
Rot. Bonds6

About 3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride

3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride (PubChem CID 43108680) has the molecular formula C11H16ClNO4S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride
PubChem CID43108680
Molecular FormulaC11H16ClNO4S2
Molecular Weight325.84 g/mol
Exact Mass325.02
IUPAC Name3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride
SMILESCCC(CC)NS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H16ClNO4S2/c1-3-9(4-2)13-19(16,17)11-7-5-6-10(8-11)18(12,14)15/h5-9,13H,3-4H2,1-2H3
InChIKeyJPAZMRMFZMIOQN-UHFFFAOYSA-N
XLogP2.08
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride 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-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 63926914
3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 43506746
N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide
CID 65033552
N-(1-cyanobutan-2-yl)-3-methylbenzenesulfonamide
CID 62647600
N-pentan-3-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106032210
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
3-bromo-N-(1-cyanobutan-2-yl)benzenesulfonamide
CID 62648307
3-cyano-N-(1-cyanobutan-2-yl)benzenesulfonamide
CID 62646004
3-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501743
3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride
CID 43533925
3-acetyl-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650571

Frequently Asked Questions

What is the IUPAC name of 3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride?
The IUPAC name of 3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride (CID 43108680) is 3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride is CCC(CC)NS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride?
The InChIKey is JPAZMRMFZMIOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S2/c1-3-9(4-2)13-19(16,17)11-7-5-6-10(8-11)18(12,14)15/h5-9,13H,3-4H2,1-2H3.
What are the key properties of 3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride?
3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride has a molecular weight of 325.84 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 43108680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).