3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride

C8H6Cl3NO3S — CID 43135246

IUPAC3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)cc(Cl)c(NC=O)c1Cl
InChIInChI=1S/C8H6Cl3NO3S/c1-4-6(16(11,14)15)2-5(9)8(7(4)10)12-3-13/h2-3H,1H3,(H,12,13)
InChIKeyXNHOAMRVTPANBU-UHFFFAOYSA-N
MW302.57 g/mol
LogP2.80
Rot. Bonds3

About 3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride

3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride (PubChem CID 43135246) has the molecular formula C8H6Cl3NO3S and a molecular weight of 302.57 g/mol. Its IUPAC name is 3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride
PubChem CID43135246
Molecular FormulaC8H6Cl3NO3S
Molecular Weight302.57 g/mol
Exact Mass300.91
IUPAC Name3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)cc(Cl)c(NC=O)c1Cl
InChIInChI=1S/C8H6Cl3NO3S/c1-4-6(16(11,14)15)2-5(9)8(7(4)10)12-3-13/h2-3H,1H3,(H,12,13)
InChIKeyXNHOAMRVTPANBU-UHFFFAOYSA-N
XLogP2.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.57
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,3,5-trichloro-4-methylbenzenesulfonyl chloride
CID 13491222
3,5-dichloro-2-methyl-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride
CID 63086300
N-(2,6-dichloro-4-fluorophenyl)formamide
CID 15767077
N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide
CID 43246587
2,3,5-trimethylbenzenesulfonyl chloride
CID 87650117
4-bromo-3-chloro-2-methylbenzenesulfonyl chloride
CID 50998046
N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246574
2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride
CID 91622942
N-(2,4-dichloro-6-fluorophenyl)formamide
CID 168654029
3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride
CID 84810118
5-fluoro-2,3-dimethylbenzenesulfonyl chloride
CID 130840588
N-(2-chloro-4-fluoro-3-methylphenyl)formamide
CID 168651882

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride (CID 43135246) is 3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride is Cc1c(S(=O)(=O)Cl)cc(Cl)c(NC=O)c1Cl.
What is the InChIKey of 3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride?
The InChIKey is XNHOAMRVTPANBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3NO3S/c1-4-6(16(11,14)15)2-5(9)8(7(4)10)12-3-13/h2-3H,1H3,(H,12,13).
What are the key properties of 3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride?
3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride has a molecular weight of 302.57 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-formamido-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 43135246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).