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

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Related Compounds

N-(1,1-Dimethylethyl)benzenesulfonamide
CID 314059
N-tert-butyl-4-fluorobenzenesulfonamide
CID 669058
N-(tert-Pentyl)benzenesulfonamide
CID 363138
4-(Methylsulfamoyl)benzene-1-sulfonyl chloride
CID 10730718
4-(Propylsulfamoyl)benzene-1-sulfonyl chloride
CID 18071970
4-[(2-Methylpropyl)sulfamoyl]benzene-1-sulfonyl chloride
CID 18072812
4-[(1-Cyanocyclobutyl)sulfamoyl]benzenesulfonyl fluoride
CID 75456625
N-tert-butyl-2-fluoro-benzenesulfonamide
CID 8405624
N-(tert-Butyl)-3-fluorobenzenesulfonamide
CID 18074508
2,5-difluoro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 19682080
2-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 49460707
4-N-propylbenzene-1,4-disulfonamide
CID 2197953

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).