N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide

C19H15BrFNO3S2 — CID 98085804

IUPACN-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide
SMILESO=S(=O)(N=[S@](=O)(c1ccccc1)[C@H](F)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H15BrFNO3S2/c20-16-13-11-15(12-14-16)19(21)26(23,17-7-3-1-4-8-17)22-27(24,25)18-9-5-2-6-10-18/h1-14,19H/t19-,26-/m0/s1
InChIKeyGXZXKVBTTPNYCL-SIBVEZHUSA-N
MW468.37 g/mol
LogP5.33
Rot. Bonds5

About N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide

N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide (PubChem CID 98085804) has the molecular formula C19H15BrFNO3S2 and a molecular weight of 468.37 g/mol. Its IUPAC name is N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide
PubChem CID98085804
Molecular FormulaC19H15BrFNO3S2
Molecular Weight468.37 g/mol
Exact Mass466.97
IUPAC NameN-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide
SMILESO=S(=O)(N=[S@](=O)(c1ccccc1)[C@H](F)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H15BrFNO3S2/c20-16-13-11-15(12-14-16)19(21)26(23,17-7-3-1-4-8-17)22-27(24,25)18-9-5-2-6-10-18/h1-14,19H/t19-,26-/m0/s1
InChIKeyGXZXKVBTTPNYCL-SIBVEZHUSA-N
XLogP5.33
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(R)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86337603
N-[[(S)-fluoro-(4-methylphenyl)methyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86337609
N-[[(R)-fluoro(phenyl)methyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86328639
N-[[(R)-fluoro-(4-fluorophenyl)methyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86337606
CID 12648432
CID 12648432
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide
CID 15325025
4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylpropyl)-λ6-sulfanylidene]benzenesulfonamide
CID 11799117
[(1S)-1-(4-bromophenyl)-2,2-dichloroethyl] benzenesulfonate
CID 2333012
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
1-bromo-4-(difluoromethylsulfonyl)benzene
CID 19959949
1-bromo-4-(1-nitroso-2-phenylethyl)benzene
CID 90939513

Frequently Asked Questions

What is the IUPAC name of N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide?
The IUPAC name of N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide (CID 98085804) is N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide?
The canonical SMILES for N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide is O=S(=O)(N=[S@](=O)(c1ccccc1)[C@H](F)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide?
The InChIKey is GXZXKVBTTPNYCL-SIBVEZHUSA-N. The full InChI is InChI=1S/C19H15BrFNO3S2/c20-16-13-11-15(12-14-16)19(21)26(23,17-7-3-1-4-8-17)22-27(24,25)18-9-5-2-6-10-18/h1-14,19H/t19-,26-/m0/s1.
What are the key properties of N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide?
N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide has a molecular weight of 468.37 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 98085804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).