N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide

C10H7BrCl2N2O2S2 — CID 62908053

IUPACN-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H7BrCl2N2O2S2/c1-5-9(18-10(13)14-5)19(16,17)15-8-4-6(11)2-3-7(8)12/h2-4,15H,1H3
InChIKeyKOYSXIJLPNRMMY-UHFFFAOYSA-N
MW402.12 g/mol
LogP4.32
Rot. Bonds3

About N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide

N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 62908053) has the molecular formula C10H7BrCl2N2O2S2 and a molecular weight of 402.12 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID62908053
Molecular FormulaC10H7BrCl2N2O2S2
Molecular Weight402.12 g/mol
Exact Mass399.85
IUPAC NameN-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H7BrCl2N2O2S2/c1-5-9(18-10(13)14-5)19(16,17)15-8-4-6(11)2-3-7(8)12/h2-4,15H,1H3
InChIKeyKOYSXIJLPNRMMY-UHFFFAOYSA-N
XLogP4.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.12
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide (CID 62908053) is N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is KOYSXIJLPNRMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2O2S2/c1-5-9(18-10(13)14-5)19(16,17)15-8-4-6(11)2-3-7(8)12/h2-4,15H,1H3.
What are the key properties of N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide?
N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 402.12 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 62908053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).