2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide

C12H12Cl2N2O3S2 — CID 82912914

IUPAC2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide
SMILESCc1nc(COc2cc(Cl)c(S(N)(=O)=O)cc2Cl)sc1C
InChIInChI=1S/C12H12Cl2N2O3S2/c1-6-7(2)20-12(16-6)5-19-10-3-9(14)11(4-8(10)13)21(15,17)18/h3-4H,5H2,1-2H3,(H2,15,17,18)
InChIKeyCOCLBHLKKAFLNS-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.29
Rot. Bonds4

About 2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide

2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide (PubChem CID 82912914) has the molecular formula C12H12Cl2N2O3S2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide
PubChem CID82912914
Molecular FormulaC12H12Cl2N2O3S2
Molecular Weight367.28 g/mol
Exact Mass365.97
IUPAC Name2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide
SMILESCc1nc(COc2cc(Cl)c(S(N)(=O)=O)cc2Cl)sc1C
InChIInChI=1S/C12H12Cl2N2O3S2/c1-6-7(2)20-12(16-6)5-19-10-3-9(14)11(4-8(10)13)21(15,17)18/h3-4H,5H2,1-2H3,(H2,15,17,18)
InChIKeyCOCLBHLKKAFLNS-UHFFFAOYSA-N
XLogP3.29
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide
CID 82912874
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide
CID 154789050
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide
CID 82916465
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methylbenzenesulfonyl chloride
CID 82915914
2,5-dichloro-4-[(2-chlorophenyl)methoxy]benzenesulfonamide
CID 43342568
2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82914081
2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 82912915
4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide
CID 43342571
2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide
CID 43560597
2,5-dichloro-4-pent-3-ynoxybenzenesulfonamide
CID 104808576
[3,5-dibromo-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]methanamine
CID 107741218
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82912184

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide (CID 82912914) is 2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide is Cc1nc(COc2cc(Cl)c(S(N)(=O)=O)cc2Cl)sc1C.
What is the InChIKey of 2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide?
The InChIKey is COCLBHLKKAFLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3S2/c1-6-7(2)20-12(16-6)5-19-10-3-9(14)11(4-8(10)13)21(15,17)18/h3-4H,5H2,1-2H3,(H2,15,17,18).
What are the key properties of 2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide?
2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide has a molecular weight of 367.28 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82912914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).