2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride

C12H14Cl3NO3S — CID 65370659

IUPAC2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(CC)NC(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3NO3S/c1-3-7(4-2)16-12(17)8-5-11(20(15,18)19)10(14)6-9(8)13/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyOUEVUNJQXSPGQC-UHFFFAOYSA-N
MW358.67 g/mol
LogP3.84
Rot. Bonds5

About 2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride

2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65370659) has the molecular formula C12H14Cl3NO3S and a molecular weight of 358.67 g/mol. Its IUPAC name is 2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID65370659
Molecular FormulaC12H14Cl3NO3S
Molecular Weight358.67 g/mol
Exact Mass356.98
IUPAC Name2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(CC)NC(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3NO3S/c1-3-7(4-2)16-12(17)8-5-11(20(15,18)19)10(14)6-9(8)13/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyOUEVUNJQXSPGQC-UHFFFAOYSA-N
XLogP3.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 63297293
2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 64688965
2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65372770
3-chloro-4-methyl-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 107100588
2,4-dichloro-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65396081
4-bromo-2-chloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 65386333
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
2,4-dichloro-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]-5-methylsulfonylbenzamide
CID 97082555
2-bromo-4-chloro-5-(2-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65396451
hexyl 2,4-dichloro-5-chlorosulfonylbenzoate
CID 65375280
3-chloro-5-(hexan-3-ylcarbamoyl)-4-methylbenzenesulfonyl chloride
CID 107100658

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride (CID 65370659) is 2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride is CCC(CC)NC(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is OUEVUNJQXSPGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO3S/c1-3-7(4-2)16-12(17)8-5-11(20(15,18)19)10(14)6-9(8)13/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride?
2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 358.67 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65370659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).