4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide

C14H17F3N4O4S — CID 2980031

IUPAC4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESCCCCN1C(=O)NC(NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)C1=O
InChIInChI=1S/C14H17F3N4O4S/c1-2-3-8-21-11(22)13(14(15,16)17,19-12(21)23)20-26(24,25)10-6-4-9(18)5-7-10/h4-7,20H,2-3,8,18H2,1H3,(H,19,23)
InChIKeyZULJLFVSBORDCJ-UHFFFAOYSA-N
MW394.38 g/mol
LogP1.16
Rot. Bonds6

About 4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide

4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (PubChem CID 2980031) has the molecular formula C14H17F3N4O4S and a molecular weight of 394.38 g/mol. Its IUPAC name is 4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
PubChem CID2980031
Molecular FormulaC14H17F3N4O4S
Molecular Weight394.38 g/mol
Exact Mass394.09
IUPAC Name4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESCCCCN1C(=O)NC(NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)C1=O
InChIInChI=1S/C14H17F3N4O4S/c1-2-3-8-21-11(22)13(14(15,16)17,19-12(21)23)20-26(24,25)10-6-4-9(18)5-7-10/h4-7,20H,2-3,8,18H2,1H3,(H,19,23)
InChIKeyZULJLFVSBORDCJ-UHFFFAOYSA-N
XLogP1.16
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
CID 2962093
4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 41026649
4-amino-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 16764162
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
CID 2216971
N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
CID 2220238
4-amino-N-[(5R)-1-methyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
CID 2236873
N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
CID 16764158
4-amino-N-[(5S)-1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
CID 41068380
4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 3995576
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
CID 71579055

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (CID 2980031) is 4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is CCCCN1C(=O)NC(NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)C1=O.
What is the InChIKey of 4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The InChIKey is ZULJLFVSBORDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O4S/c1-2-3-8-21-11(22)13(14(15,16)17,19-12(21)23)20-26(24,25)10-6-4-9(18)5-7-10/h4-7,20H,2-3,8,18H2,1H3,(H,19,23).
What are the key properties of 4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide has a molecular weight of 394.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 2980031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).