methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate

C15H13F3N2O4S — CID 21239301

IUPACmethyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H13F3N2O4S/c1-24-14(21)19-11-6-8-13(9-7-11)25(22,23)20-12-4-2-10(3-5-12)15(16,17)18/h2-9,20H,1H3,(H,19,21)
InChIKeyIUZCHUSXGIGZCI-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.68
Rot. Bonds4

About methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate

methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate (PubChem CID 21239301) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate
PubChem CID21239301
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Namemethyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H13F3N2O4S/c1-24-14(21)19-11-6-8-13(9-7-11)25(22,23)20-12-4-2-10(3-5-12)15(16,17)18/h2-9,20H,1H3,(H,19,21)
InChIKeyIUZCHUSXGIGZCI-UHFFFAOYSA-N
XLogP3.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 2730887
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 2234602
N-[4-(2-sulfanylacetyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11462996
N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 55537416
2,2,2-trifluoroethyl 4-(methoxycarbonylamino)benzenesulfonate
CID 3391907
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 91968408
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate (CID 21239301) is methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate?
The InChIKey is IUZCHUSXGIGZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-24-14(21)19-11-6-8-13(9-7-11)25(22,23)20-12-4-2-10(3-5-12)15(16,17)18/h2-9,20H,1H3,(H,19,21).
What are the key properties of methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate?
methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate has a molecular weight of 374.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 21239301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).