2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide

C11H10Cl2N2O3S2 — CID 43427486

IUPAC2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H10Cl2N2O3S2/c1-6-3-8(9(18-2)4-7(6)12)15-20(16,17)10-5-14-11(13)19-10/h3-5,15H,1-2H3
InChIKeyBBFMOPYXVVWZQN-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.57
Rot. Bonds4

About 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43427486) has the molecular formula C11H10Cl2N2O3S2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide
PubChem CID43427486
Molecular FormulaC11H10Cl2N2O3S2
Molecular Weight353.25 g/mol
Exact Mass351.95
IUPAC Name2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H10Cl2N2O3S2/c1-6-3-8(9(18-2)4-7(6)12)15-20(16,17)10-5-14-11(13)19-10/h3-5,15H,1-2H3
InChIKeyBBFMOPYXVVWZQN-UHFFFAOYSA-N
XLogP3.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79998350
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide
CID 146124559
2-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455848
2-chloro-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427475
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731063
2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443
2-chloro-N-(5-chloro-2-propoxyphenyl)-1,3-thiazole-5-sulfonamide
CID 61041732
2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide
CID 114259497
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
CID 7940782

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide (CID 43427486) is 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide is COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is BBFMOPYXVVWZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O3S2/c1-6-3-8(9(18-2)4-7(6)12)15-20(16,17)10-5-14-11(13)19-10/h3-5,15H,1-2H3.
What are the key properties of 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 353.25 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43427486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).