4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

C11H11BrF3NO2S — CID 106214877

IUPAC4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)ccc1Br
InChIInChI=1S/C11H11BrF3NO2S/c1-7-6-8(2-3-9(7)12)19(17,18)16-10(4-5-10)11(13,14)15/h2-3,6,16H,4-5H2,1H3
InChIKeyBKTJJBFIDXQAHE-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.13
Rot. Bonds3

About 4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (PubChem CID 106214877) has the molecular formula C11H11BrF3NO2S and a molecular weight of 358.18 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
PubChem CID106214877
Molecular FormulaC11H11BrF3NO2S
Molecular Weight358.18 g/mol
Exact Mass356.96
IUPAC Name4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)ccc1Br
InChIInChI=1S/C11H11BrF3NO2S/c1-7-6-8(2-3-9(7)12)19(17,18)16-10(4-5-10)11(13,14)15/h2-3,6,16H,4-5H2,1H3
InChIKeyBKTJJBFIDXQAHE-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208577
2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106209132
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide
CID 115902821
3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208517
3-(aminomethyl)-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218648
3-(hydroxymethyl)-4-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218479
2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide
CID 106211293
3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106217621
2-bromo-4-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218751
2-bromo-5-(hydroxymethyl)-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218435
1-(4-bromo-3-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 134361933
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (CID 106214877) is 4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is BKTJJBFIDXQAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2S/c1-7-6-8(2-3-9(7)12)19(17,18)16-10(4-5-10)11(13,14)15/h2-3,6,16H,4-5H2,1H3.
What are the key properties of 4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 358.18 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 106214877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).