4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide

C10H7BrCl2N2O2S2 — CID 113431404

IUPAC4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cncs1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H7BrCl2N2O2S2/c11-6-1-8(12)10(9(13)2-6)19(16,17)15-4-7-3-14-5-18-7/h1-3,5,15H,4H2
InChIKeyZWNTVDRFJSXHBZ-UHFFFAOYSA-N
MW402.12 g/mol
LogP3.69
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide (PubChem CID 113431404) has the molecular formula C10H7BrCl2N2O2S2 and a molecular weight of 402.12 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
PubChem CID113431404
Molecular FormulaC10H7BrCl2N2O2S2
Molecular Weight402.12 g/mol
Exact Mass399.85
IUPAC Name4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cncs1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H7BrCl2N2O2S2/c11-6-1-8(12)10(9(13)2-6)19(16,17)15-4-7-3-14-5-18-7/h1-3,5,15H,4H2
InChIKeyZWNTVDRFJSXHBZ-UHFFFAOYSA-N
XLogP3.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.12
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26944366
4-bromo-2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103858773
3-amino-5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
CID 114380309
3-amino-2,5,6-trimethyl-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
CID 106505432
N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-2,6-dichlorobenzenesulfonamide
CID 32944440
N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide
CID 104600787
4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 60727630
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650766
3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717587
4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106288270

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide (CID 113431404) is 4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cncs1)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is ZWNTVDRFJSXHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2O2S2/c11-6-1-8(12)10(9(13)2-6)19(16,17)15-4-7-3-14-5-18-7/h1-3,5,15H,4H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 402.12 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 113431404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).