3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride

C13H17ClFNO3S — CID 65371849

IUPAC3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride
SMILESCCCN(CC)C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C13H17ClFNO3S/c1-4-6-16(5-2)13(17)11-7-10(15)8-12(9(11)3)20(14,18)19/h7-8H,4-6H2,1-3H3
InChIKeyAUKNOHVSFFEQBN-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.93
Rot. Bonds5

About 3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride

3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride (PubChem CID 65371849) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is 3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride
PubChem CID65371849
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride
SMILESCCCN(CC)C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C13H17ClFNO3S/c1-4-6-16(5-2)13(17)11-7-10(15)8-12(9(11)3)20(14,18)19/h7-8H,4-6H2,1-3H3
InChIKeyAUKNOHVSFFEQBN-UHFFFAOYSA-N
XLogP2.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride
CID 65370803
2-propoxyethyl 3-chlorosulfonyl-5-fluoro-2-methylbenzoate
CID 65374927
5-fluoro-2-methyl-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65398199
3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65372237
2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 63957017
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
5-fluoro-2,3-dimethylbenzenesulfonyl chloride
CID 130840588
5-bromo-3-[cyclopropyl(propyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370705
3-(azepane-1-carbonyl)-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65367533
5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 82891061
3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
CID 107120608
4-methylpentyl 3-chlorosulfonyl-5-fluoro-2-methylbenzoate
CID 65373345

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride?
The IUPAC name of 3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride (CID 65371849) is 3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride is CCCN(CC)C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1C.
What is the InChIKey of 3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride?
The InChIKey is AUKNOHVSFFEQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c1-4-6-16(5-2)13(17)11-7-10(15)8-12(9(11)3)20(14,18)19/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride?
3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride has a molecular weight of 321.80 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 65371849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).