4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H11BrF3NO2S — CID 54983714

IUPAC4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H11BrF3NO2S/c12-8-1-5-10(6-2-8)19(17,18)16(9-3-4-9)7-11(13,14)15/h1-2,5-6,9H,3-4,7H2
InChIKeyCTYHACGCJODMGH-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.16
Rot. Bonds4

About 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 54983714) has the molecular formula C11H11BrF3NO2S and a molecular weight of 358.18 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID54983714
Molecular FormulaC11H11BrF3NO2S
Molecular Weight358.18 g/mol
Exact Mass356.96
IUPAC Name4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H11BrF3NO2S/c12-8-1-5-10(6-2-8)19(17,18)16(9-3-4-9)7-11(13,14)15/h1-2,5-6,9H,3-4,7H2
InChIKeyCTYHACGCJODMGH-UHFFFAOYSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 54983763
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554922
3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61384835
3,4-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554887
4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide
CID 102873427
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630089
4-bromo-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056434
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1167474
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 43871742
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 1342586

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 54983714) is 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(c1ccc(Br)cc1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is CTYHACGCJODMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2S/c12-8-1-5-10(6-2-8)19(17,18)16(9-3-4-9)7-11(13,14)15/h1-2,5-6,9H,3-4,7H2.
What are the key properties of 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 358.18 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 54983714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).