4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride

C11H16ClNO4S2 — CID 43131428

IUPAC4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H16ClNO4S2/c1-8(2)9(3)13-19(16,17)11-6-4-10(5-7-11)18(12,14)15/h4-9,13H,1-3H3
InChIKeyPFLZEHNZZRLZCL-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.94
Rot. Bonds5

About 4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride

4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride (PubChem CID 43131428) has the molecular formula C11H16ClNO4S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride
PubChem CID43131428
Molecular FormulaC11H16ClNO4S2
Molecular Weight325.84 g/mol
Exact Mass325.02
IUPAC Name4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H16ClNO4S2/c1-8(2)9(3)13-19(16,17)11-6-4-10(5-7-11)18(12,14)15/h4-9,13H,1-3H3
InChIKeyPFLZEHNZZRLZCL-UHFFFAOYSA-N
XLogP1.94
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-methylbutan-2-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

4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390
4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43455143
4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43507020
4-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 21307132
4-N-[(2S)-3-methylbutan-2-yl]-1-N-pyridin-4-ylbenzene-1,4-disulfonamide
CID 97309370
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037
4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60823404
N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629183
4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 100570121
4-(2,3,3-trimethylbutylsulfamoyl)benzenesulfonyl chloride
CID 83142937
4-chloro-N-(3-methylbutan-2-yl)-3-nitrobenzenesulfonamide
CID 43089665
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride (CID 43131428) is 4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride is CC(C)C(C)NS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride?
The InChIKey is PFLZEHNZZRLZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S2/c1-8(2)9(3)13-19(16,17)11-6-4-10(5-7-11)18(12,14)15/h4-9,13H,1-3H3.
What are the key properties of 4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride?
4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride has a molecular weight of 325.84 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 43131428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).