4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride

C11H12ClNO3S — CID 114617254

IUPAC4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride
SMILESC=C(C)CNC(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H12ClNO3S/c1-8(2)7-13-11(14)9-3-5-10(6-4-9)17(12,15)16/h3-6H,1,7H2,2H3,(H,13,14)
InChIKeyOOHFSVJQTXZDDP-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.92
Rot. Bonds4

About 4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride

4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride (PubChem CID 114617254) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride
PubChem CID114617254
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride
SMILESC=C(C)CNC(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H12ClNO3S/c1-8(2)7-13-11(14)9-3-5-10(6-4-9)17(12,15)16/h3-6H,1,7H2,2H3,(H,13,14)
InChIKeyOOHFSVJQTXZDDP-UHFFFAOYSA-N
XLogP1.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(nonylcarbamoyl)benzenesulfonyl chloride
CID 110823481
4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride
CID 79360136
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
CID 16768249
N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide
CID 47441752
4-(4,4,4-trifluorobutylcarbamoyl)benzenesulfonyl chloride
CID 115519611
4-(4-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 43372353
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114614951
ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate
CID 60812284
3-bromo-N-(2-methylprop-2-enyl)-5-sulfamoylbenzamide
CID 114618251
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 79363220
N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 114618628

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride (CID 114617254) is 4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride is C=C(C)CNC(=O)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is OOHFSVJQTXZDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c1-8(2)7-13-11(14)9-3-5-10(6-4-9)17(12,15)16/h3-6H,1,7H2,2H3,(H,13,14).
What are the key properties of 4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride?
4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 273.74 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 114617254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).