4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

C17H14F3NO3S — CID 110423293

IUPAC4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C17H14F3NO3S/c18-17(19,20)14-3-1-2-4-15(14)21-25(23,24)13-9-7-12(8-10-13)16(22)11-5-6-11/h1-4,7-11,21H,5-6H2
InChIKeyUIGKUHMRSSGTMV-UHFFFAOYSA-N
MW369.36 g/mol
LogP4.10
Rot. Bonds5

About 4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 110423293) has the molecular formula C17H14F3NO3S and a molecular weight of 369.36 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID110423293
Molecular FormulaC17H14F3NO3S
Molecular Weight369.36 g/mol
Exact Mass369.06
IUPAC Name4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C17H14F3NO3S/c18-17(19,20)14-3-1-2-4-15(14)21-25(23,24)13-9-7-12(8-10-13)16(22)11-5-6-11/h1-4,7-11,21H,5-6H2
InChIKeyUIGKUHMRSSGTMV-UHFFFAOYSA-N
XLogP4.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate
CID 110424063
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
methyl (Z)-3-[4-[[2-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoate
CID 97359671
4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774163
N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148581
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928
N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide
CID 25469578
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3809875
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
2-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 12017862

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 110423293) is 4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is UIGKUHMRSSGTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3S/c18-17(19,20)14-3-1-2-4-15(14)21-25(23,24)13-9-7-12(8-10-13)16(22)11-5-6-11/h1-4,7-11,21H,5-6H2.
What are the key properties of 4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 369.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110423293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).