4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride

C11H14ClNO4S2 — CID 113485497

IUPAC4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride
SMILESCC1(NS(=O)(=O)c2ccc(S(=O)(=O)Cl)cc2)CCC1
InChIInChI=1S/C11H14ClNO4S2/c1-11(7-2-8-11)13-19(16,17)10-5-3-9(4-6-10)18(12,14)15/h3-6,13H,2,7-8H2,1H3
InChIKeyIMVMJWUGVBFOSF-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.84
Rot. Bonds4

About 4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride

4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride (PubChem CID 113485497) has the molecular formula C11H14ClNO4S2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride
PubChem CID113485497
Molecular FormulaC11H14ClNO4S2
Molecular Weight323.82 g/mol
Exact Mass323.01
IUPAC Name4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride
SMILESCC1(NS(=O)(=O)c2ccc(S(=O)(=O)Cl)cc2)CCC1
InChIInChI=1S/C11H14ClNO4S2/c1-11(7-2-8-11)13-19(16,17)10-5-3-9(4-6-10)18(12,14)15/h3-6,13H,2,7-8H2,1H3
InChIKeyIMVMJWUGVBFOSF-UHFFFAOYSA-N
XLogP1.84
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(1-methylcyclobutyl)sulfamoyl]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-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
4-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687056
4-amino-N-(1-methylcyclohexyl)benzenesulfonamide
CID 55207677
4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958260
4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485629
4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide
CID 90946350
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide
CID 115634619
N-(1-methylcyclopentyl)-4-(propylamino)benzenesulfonamide
CID 64687908
6-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
CID 62158085
4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114958460
4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485862

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride (CID 113485497) is 4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride is CC1(NS(=O)(=O)c2ccc(S(=O)(=O)Cl)cc2)CCC1.
What is the InChIKey of 4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride?
The InChIKey is IMVMJWUGVBFOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S2/c1-11(7-2-8-11)13-19(16,17)10-5-3-9(4-6-10)18(12,14)15/h3-6,13H,2,7-8H2,1H3.
What are the key properties of 4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride?
4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride has a molecular weight of 323.82 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 113485497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).