2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride

C12H14Cl3NO4S — CID 65397658

IUPAC2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(COC)NC(=O)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C12H14Cl3NO4S/c1-3-7(6-20-2)16-12(17)10-8(13)4-5-9(11(10)14)21(15,18)19/h4-5,7H,3,6H2,1-2H3,(H,16,17)
InChIKeyVIWDIXLBOWMBGZ-UHFFFAOYSA-N
MW374.67 g/mol
LogP3.08
Rot. Bonds6

About 2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride

2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65397658) has the molecular formula C12H14Cl3NO4S and a molecular weight of 374.67 g/mol. Its IUPAC name is 2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID65397658
Molecular FormulaC12H14Cl3NO4S
Molecular Weight374.67 g/mol
Exact Mass372.97
IUPAC Name2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(COC)NC(=O)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C12H14Cl3NO4S/c1-3-7(6-20-2)16-12(17)10-8(13)4-5-9(11(10)14)21(15,18)19/h4-5,7H,3,6H2,1-2H3,(H,16,17)
InChIKeyVIWDIXLBOWMBGZ-UHFFFAOYSA-N
XLogP3.08
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride (CID 65397658) is 2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride is CCC(COC)NC(=O)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is VIWDIXLBOWMBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO4S/c1-3-7(6-20-2)16-12(17)10-8(13)4-5-9(11(10)14)21(15,18)19/h4-5,7H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride?
2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 374.67 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65397658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).