3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride

C12H15ClFNO4S — CID 65371862

IUPAC3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
SMILESCCCN(C)C(=O)c1cc(F)c(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H15ClFNO4S/c1-4-5-15(2)12(16)8-6-9(14)11(19-3)10(7-8)20(13,17)18/h6-7H,4-5H2,1-3H3
InChIKeyYMDNNSWWXFEKSI-UHFFFAOYSA-N
MW323.77 g/mol
LogP2.24
Rot. Bonds5

About 3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride

3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65371862) has the molecular formula C12H15ClFNO4S and a molecular weight of 323.77 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65371862
Molecular FormulaC12H15ClFNO4S
Molecular Weight323.77 g/mol
Exact Mass323.04
IUPAC Name3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
SMILESCCCN(C)C(=O)c1cc(F)c(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H15ClFNO4S/c1-4-5-15(2)12(16)8-6-9(14)11(19-3)10(7-8)20(13,17)18/h6-7H,4-5H2,1-3H3
InChIKeyYMDNNSWWXFEKSI-UHFFFAOYSA-N
XLogP2.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 65372377
ethyl 3-chlorosulfonyl-5-fluoro-4-methoxybenzoate
CID 43381750
pentan-2-yl 3-chlorosulfonyl-5-fluoro-4-methoxybenzoate
CID 102988385
3-fluoro-5-[3-methoxypropyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65397034
5-(2,2-difluoroethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 115408885
3-fluoro-2-methoxy-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65372773
N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
CID 65388145
N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
CID 65387046
1-methoxypropan-2-yl 3-chlorosulfonyl-5-fluoro-4-methoxybenzoate
CID 65374159
2-bromo-5-[butyl(methyl)carbamoyl]-3-chlorobenzenesulfonyl chloride
CID 81295735
3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65372237
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65396460

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride (CID 65371862) is 3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride is CCCN(C)C(=O)c1cc(F)c(OC)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is YMDNNSWWXFEKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO4S/c1-4-5-15(2)12(16)8-6-9(14)11(19-3)10(7-8)20(13,17)18/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride?
3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 323.77 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65371862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).