2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide

C11H10BrClN2O2S2 — CID 100742356

IUPAC2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2c(Cl)cccc2Br)sc1C
InChIInChI=1S/C11H10BrClN2O2S2/c1-6-7(2)18-11(14-6)15-19(16,17)10-8(12)4-3-5-9(10)13/h3-5H,1-2H3,(H,14,15)
InChIKeyFALBECCGMIMSMN-UHFFFAOYSA-N
MW381.70 g/mol
LogP3.98
Rot. Bonds3

About 2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide

2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 100742356) has the molecular formula C11H10BrClN2O2S2 and a molecular weight of 381.70 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID100742356
Molecular FormulaC11H10BrClN2O2S2
Molecular Weight381.70 g/mol
Exact Mass379.91
IUPAC Name2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2c(Cl)cccc2Br)sc1C
InChIInChI=1S/C11H10BrClN2O2S2/c1-6-7(2)18-11(14-6)15-19(16,17)10-8(12)4-3-5-9(10)13/h3-5H,1-2H3,(H,14,15)
InChIKeyFALBECCGMIMSMN-UHFFFAOYSA-N
XLogP3.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 75420865
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 60675416
5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 4730084
3-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide;3-bromothiophene-2-sulfonyl chloride
CID 158714771
5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61463931
2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide
CID 114269290
2-bromo-6-chloro-N-prop-2-ynylbenzenesulfonamide
CID 130506038
2-[(2-chlorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946233
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60675322
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide
CID 64602862
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62152788
5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
CID 61464277

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 100742356) is 2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2c(Cl)cccc2Br)sc1C.
What is the InChIKey of 2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FALBECCGMIMSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2S2/c1-6-7(2)18-11(14-6)15-19(16,17)10-8(12)4-3-5-9(10)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 381.70 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 100742356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).