2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride

C13H16Cl3NO3S — CID 65370240

IUPAC2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(C)C(C)NC(=O)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C13H16Cl3NO3S/c1-4-7(2)8(3)17-13(18)11-9(14)5-6-10(12(11)15)21(16,19)20/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyDOJYTVYMBANIRO-UHFFFAOYSA-N
MW372.70 g/mol
LogP4.09
Rot. Bonds5

About 2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride

2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65370240) has the molecular formula C13H16Cl3NO3S and a molecular weight of 372.70 g/mol. Its IUPAC name is 2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID65370240
Molecular FormulaC13H16Cl3NO3S
Molecular Weight372.70 g/mol
Exact Mass370.99
IUPAC Name2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(C)C(C)NC(=O)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C13H16Cl3NO3S/c1-4-7(2)8(3)17-13(18)11-9(14)5-6-10(12(11)15)21(16,19)20/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyDOJYTVYMBANIRO-UHFFFAOYSA-N
XLogP4.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.70
LogP ≤ 54.09
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
2,4-dichloro-3-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride
CID 65396023
2,4-dichloro-3-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370091
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676745
3-chloro-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370239
2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370425
3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
CID 103221997
3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79807541
2,4-dichloro-3-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 114551487
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
CID 82833286
3-chloro-6-hydrazinyl-N-(3-methylpentan-2-yl)pyridine-2-carboxamide
CID 62249778

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride (CID 65370240) is 2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride is CCC(C)C(C)NC(=O)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is DOJYTVYMBANIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO3S/c1-4-7(2)8(3)17-13(18)11-9(14)5-6-10(12(11)15)21(16,19)20/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of 2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride?
2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 372.70 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65370240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).