5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride

C13H17Cl2NO3S — CID 82891061

IUPAC5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride
SMILESCCN(C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1C)C(C)C
InChIInChI=1S/C13H17Cl2NO3S/c1-5-16(8(2)3)13(17)11-6-10(14)7-12(9(11)4)20(15,18)19/h6-8H,5H2,1-4H3
InChIKeyZHISSZASWMUAGX-UHFFFAOYSA-N
MW338.26 g/mol
LogP3.45
Rot. Bonds4

About 5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride

5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride (PubChem CID 82891061) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride
PubChem CID82891061
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride
SMILESCCN(C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1C)C(C)C
InChIInChI=1S/C13H17Cl2NO3S/c1-5-16(8(2)3)13(17)11-6-10(14)7-12(9(11)4)20(15,18)19/h6-8H,5H2,1-4H3
InChIKeyZHISSZASWMUAGX-UHFFFAOYSA-N
XLogP3.45
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 82878197
3-[butan-2-yl(ethyl)carbamoyl]-5-chloro-2-fluorobenzenesulfonyl chloride
CID 65372645
2-methylpropyl 5-chloro-3-chlorosulfonyl-2-methylbenzoate
CID 82890756
5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
CID 61063559
2,4,5-trichloro-3-[ethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 65372415
2-ethoxyethyl 5-chloro-3-chlorosulfonyl-2-methylbenzoate
CID 82890673
3-[ethyl(propan-2-yl)carbamoyl]-4-fluoro-5-methylbenzenesulfonyl chloride
CID 81479215
5-[ethyl(propan-2-yl)carbamoyl]-2-fluoro-3-methylbenzenesulfonyl chloride
CID 65371075
4-chloro-N-ethyl-2-iodo-N-propan-2-ylbenzamide
CID 121012728
5-chloro-3-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 82890365
3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65372237
2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371660

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride?
The IUPAC name of 5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride (CID 82891061) is 5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride is CCN(C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1C)C(C)C.
What is the InChIKey of 5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride?
The InChIKey is ZHISSZASWMUAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-5-16(8(2)3)13(17)11-6-10(14)7-12(9(11)4)20(15,18)19/h6-8H,5H2,1-4H3.
What are the key properties of 5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride?
5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride has a molecular weight of 338.26 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82891061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).