4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride

C11H11ClF3NO4S — CID 65369997

IUPAC4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C11H11ClF3NO4S/c1-16(6-11(13,14)15)10(17)8-5-7(21(12,18)19)3-4-9(8)20-2/h3-5H,6H2,1-2H3
InChIKeyKUMWJMKXZRKEMK-UHFFFAOYSA-N
MW345.73 g/mol
LogP2.26
Rot. Bonds4

About 4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride

4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65369997) has the molecular formula C11H11ClF3NO4S and a molecular weight of 345.73 g/mol. Its IUPAC name is 4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65369997
Molecular FormulaC11H11ClF3NO4S
Molecular Weight345.73 g/mol
Exact Mass345.00
IUPAC Name4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C11H11ClF3NO4S/c1-16(6-11(13,14)15)10(17)8-5-7(21(12,18)19)3-4-9(8)20-2/h3-5H,6H2,1-2H3
InChIKeyKUMWJMKXZRKEMK-UHFFFAOYSA-N
XLogP2.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.73
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-4-methoxybenzenesulfonyl chloride
CID 15579448
methyl 5-chlorosulfonyl-2-methoxybenzoate
CID 43436733
3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79600380
2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid
CID 119171965
5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55675449
3-[(2-methoxy-5-methylsulfonylbenzoyl)-methylamino]propanoic acid
CID 120687388
4-chloro-2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371341
2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65372490
3-methoxypropyl 5-chlorosulfonyl-2-methoxybenzoate
CID 65397137
3-(hexylcarbamoyl)-4-methoxybenzenesulfonyl chloride
CID 65398804
N-benzyl-5-(ethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 19257900
2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54904342

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride (CID 65369997) is 4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride is COc1ccc(S(=O)(=O)Cl)cc1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is KUMWJMKXZRKEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO4S/c1-16(6-11(13,14)15)10(17)8-5-7(21(12,18)19)3-4-9(8)20-2/h3-5H,6H2,1-2H3.
What are the key properties of 4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride?
4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 345.73 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65369997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).