4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide

C10H10BrClF3NO2S — CID 121313309

IUPAC4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide
SMILESC[C@@H](CF)NS(=O)(=O)c1ccc(Br)c(C(F)F)c1Cl
InChIInChI=1S/C10H10BrClF3NO2S/c1-5(4-13)16-19(17,18)7-3-2-6(11)8(9(7)12)10(14)15/h2-3,5,10,16H,4H2,1H3/t5-/m0/s1
InChIKeyZHQXVQBXRVRCGA-YFKPBYRVSA-N
MW380.61 g/mol
LogP3.68
Rot. Bonds5

About 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide

4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide (PubChem CID 121313309) has the molecular formula C10H10BrClF3NO2S and a molecular weight of 380.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide
PubChem CID121313309
Molecular FormulaC10H10BrClF3NO2S
Molecular Weight380.61 g/mol
Exact Mass378.93
IUPAC Name4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide
SMILESC[C@@H](CF)NS(=O)(=O)c1ccc(Br)c(C(F)F)c1Cl
InChIInChI=1S/C10H10BrClF3NO2S/c1-5(4-13)16-19(17,18)7-3-2-6(11)8(9(7)12)10(14)15/h2-3,5,10,16H,4H2,1H3/t5-/m0/s1
InChIKeyZHQXVQBXRVRCGA-YFKPBYRVSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide (CID 121313309) is 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide is C[C@@H](CF)NS(=O)(=O)c1ccc(Br)c(C(F)F)c1Cl.
What is the InChIKey of 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide?
The InChIKey is ZHQXVQBXRVRCGA-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10BrClF3NO2S/c1-5(4-13)16-19(17,18)7-3-2-6(11)8(9(7)12)10(14)15/h2-3,5,10,16H,4H2,1H3/t5-/m0/s1.
What are the key properties of 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide?
4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide has a molecular weight of 380.61 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1-fluoropropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 121313309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).