N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide

C10H12F3N3O3S — CID 75402734

IUPACN-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3N3O3S/c11-10(12,13)8-3-1-7(2-4-8)9(17)15-5-6-16-20(14,18)19/h1-4,16H,5-6H2,(H,15,17)(H2,14,18,19)
InChIKeyYUBLBGHUYUPDLK-UHFFFAOYSA-N
MW311.29 g/mol
LogP0.23
Rot. Bonds5

About N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 75402734) has the molecular formula C10H12F3N3O3S and a molecular weight of 311.29 g/mol. Its IUPAC name is N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID75402734
Molecular FormulaC10H12F3N3O3S
Molecular Weight311.29 g/mol
Exact Mass311.06
IUPAC NameN-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3N3O3S/c11-10(12,13)8-3-1-7(2-4-8)9(17)15-5-6-16-20(14,18)19/h1-4,16H,5-6H2,(H,15,17)(H2,14,18,19)
InChIKeyYUBLBGHUYUPDLK-UHFFFAOYSA-N
XLogP0.23
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
N-[2-[[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]sulfonylamino]ethyl]-4-(trifluoromethyl)benzamide
CID 18723380
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 110907156
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546186
4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774274
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113065137
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496955

Frequently Asked Questions

What is the IUPAC name of N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide (CID 75402734) is N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide is NS(=O)(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is YUBLBGHUYUPDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3S/c11-10(12,13)8-3-1-7(2-4-8)9(17)15-5-6-16-20(14,18)19/h1-4,16H,5-6H2,(H,15,17)(H2,14,18,19).
What are the key properties of N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 311.29 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 75402734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).