N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide

C13H15F3N2O3S — CID 71879297

IUPACN-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(NC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O3S/c1-18(10-4-5-10)22(20,21)11-6-2-9(3-7-11)17-12(19)8-13(14,15)16/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,19)
InChIKeyQJZQFMGSYNLRNO-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.36
Rot. Bonds5

About N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide

N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide (PubChem CID 71879297) has the molecular formula C13H15F3N2O3S and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide
PubChem CID71879297
Molecular FormulaC13H15F3N2O3S
Molecular Weight336.34 g/mol
Exact Mass336.08
IUPAC NameN-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(NC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O3S/c1-18(10-4-5-10)22(20,21)11-6-2-9(3-7-11)17-12(19)8-13(14,15)16/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,19)
InChIKeyQJZQFMGSYNLRNO-UHFFFAOYSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303
N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide
CID 119048273
1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 122136241
N-[4-[methyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]propanamide
CID 49243207
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
CID 26906866
N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
CID 8850603
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
2-(4-bromophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 2969352
2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 4924171
[2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199124

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide (CID 71879297) is N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide is CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)CC(F)(F)F)cc1.
What is the InChIKey of N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide?
The InChIKey is QJZQFMGSYNLRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3S/c1-18(10-4-5-10)22(20,21)11-6-2-9(3-7-11)17-12(19)8-13(14,15)16/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,19).
What are the key properties of N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide?
N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide has a molecular weight of 336.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 71879297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).