[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid

C11H13F3N2O4S — CID 68646824

IUPAC[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
SMILESCS(=O)(=O)NCC(NC(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O4S/c1-21(19,20)15-6-9(16-10(17)18)7-4-2-3-5-8(7)11(12,13)14/h2-5,9,15-16H,6H2,1H3,(H,17,18)
InChIKeyXZLLYLBLOGJDOW-UHFFFAOYSA-N
MW326.30 g/mol
LogP1.56
Rot. Bonds5

About [2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid

[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid (PubChem CID 68646824) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is [2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
PubChem CID68646824
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC Name[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
SMILESCS(=O)(=O)NCC(NC(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O4S/c1-21(19,20)15-6-9(16-10(17)18)7-4-2-3-5-8(7)11(12,13)14/h2-5,9,15-16H,6H2,1H3,(H,17,18)
InChIKeyXZLLYLBLOGJDOW-UHFFFAOYSA-N
XLogP1.56
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethylsulfonylamino)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 68646243
tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 66671984
[benzenesulfonyl-[2-(trifluoromethyl)phenyl]methyl]carbamic acid
CID 68646210
(3S)-3-[(2,2,2-trifluoroacetyl)amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 167716256
3-[[methyl(propan-2-yl)carbamoyl]amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 167924267
N-[2-methylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 154491929
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
[1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid
CID 69024985
tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate
CID 59536886
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
3-[2-(trifluoromethyl)phenyl]pentanedioic acid
CID 66618920
N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
CID 59536927

Frequently Asked Questions

What is the IUPAC name of [2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The IUPAC name of [2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid (CID 68646824) is [2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid.
What is the SMILES notation for [2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The canonical SMILES for [2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid is CS(=O)(=O)NCC(NC(=O)O)c1ccccc1C(F)(F)F.
What is the InChIKey of [2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The InChIKey is XZLLYLBLOGJDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c1-21(19,20)15-6-9(16-10(17)18)7-4-2-3-5-8(7)11(12,13)14/h2-5,9,15-16H,6H2,1H3,(H,17,18).
What are the key properties of [2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid?
[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid has a molecular weight of 326.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid is sourced from PubChem (CID 68646824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).