2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride

C14H19ClFNO3S — CID 65370425

IUPAC2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(C)C(C)NC(=O)c1cc(C)c(F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H19ClFNO3S/c1-5-8(2)10(4)17-14(18)11-6-9(3)13(16)12(7-11)21(15,19)20/h6-8,10H,5H2,1-4H3,(H,17,18)
InChIKeyDIJAXJNLTREFDJ-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.23
Rot. Bonds5

About 2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride

2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65370425) has the molecular formula C14H19ClFNO3S and a molecular weight of 335.83 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID65370425
Molecular FormulaC14H19ClFNO3S
Molecular Weight335.83 g/mol
Exact Mass335.08
IUPAC Name2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(C)C(C)NC(=O)c1cc(C)c(F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H19ClFNO3S/c1-5-8(2)10(4)17-14(18)11-6-9(3)13(16)12(7-11)21(15,19)20/h6-8,10H,5H2,1-4H3,(H,17,18)
InChIKeyDIJAXJNLTREFDJ-UHFFFAOYSA-N
XLogP3.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370050
N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide
CID 65374785
3-chloro-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370239
5-[ethyl(propan-2-yl)carbamoyl]-2-fluoro-3-methylbenzenesulfonyl chloride
CID 65371075
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676745
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141
3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 104852533
3,5-diamino-N-(3-methylpentan-2-yl)benzamide
CID 54950045
3-fluoro-2-methoxy-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65372773
4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
CID 82833286
2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370240

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride (CID 65370425) is 2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride is CCC(C)C(C)NC(=O)c1cc(C)c(F)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is DIJAXJNLTREFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO3S/c1-5-8(2)10(4)17-14(18)11-6-9(3)13(16)12(7-11)21(15,19)20/h6-8,10H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride?
2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 335.83 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65370425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).