3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride

C7H3Cl3FNO3S — CID 65367638

IUPAC3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride
SMILESNC(=O)c1cc(F)c(Cl)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H3Cl3FNO3S/c8-4-2(7(12)13)1-3(11)5(9)6(4)16(10,14)15/h1H,(H2,12,13)
InChIKeyGNRQULQQQXLSGW-UHFFFAOYSA-N
MW306.53 g/mol
LogP2.16
Rot. Bonds2

About 3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride

3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride (PubChem CID 65367638) has the molecular formula C7H3Cl3FNO3S and a molecular weight of 306.53 g/mol. Its IUPAC name is 3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride
PubChem CID65367638
Molecular FormulaC7H3Cl3FNO3S
Molecular Weight306.53 g/mol
Exact Mass304.89
IUPAC Name3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride
SMILESNC(=O)c1cc(F)c(Cl)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H3Cl3FNO3S/c8-4-2(7(12)13)1-3(11)5(9)6(4)16(10,14)15/h1H,(H2,12,13)
InChIKeyGNRQULQQQXLSGW-UHFFFAOYSA-N
XLogP2.16
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

propyl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate
CID 65396721
cyclopropylmethyl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate
CID 65397135
3-methylbutyl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate
CID 65373326
2,5-dichloro-3-fluorobenzamide
CID 121228309
oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate
CID 102608571
2-chloro-3-(ethylcarbamoyl)-5,6-difluorobenzenesulfonyl chloride
CID 65367815
tert-butyl 2,4-dichloro-5-fluoro-3-sulfamoylbenzoate
CID 65380219
4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride
CID 65368132
2-carbamoyl-4,5-difluorobenzenesulfonic acid
CID 157144700
2-chloro-5,6-difluoro-3-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65367799
methyl 3-chloro-2-chlorosulfonyl-4-fluorobenzoate
CID 175746143
4-chloro-2,6-difluorobenzenesulfonyl chloride
CID 50998405

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride (CID 65367638) is 3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride is NC(=O)c1cc(F)c(Cl)c(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride?
The InChIKey is GNRQULQQQXLSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3FNO3S/c8-4-2(7(12)13)1-3(11)5(9)6(4)16(10,14)15/h1H,(H2,12,13).
What are the key properties of 3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride?
3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride has a molecular weight of 306.53 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-2,6-dichloro-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65367638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).