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

C9H6BrClN2O2S2 — CID 43427435

IUPACN-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1cnc(Cl)s1
InChIInChI=1S/C9H6BrClN2O2S2/c10-6-1-3-7(4-2-6)13-17(14,15)8-5-12-9(11)16-8/h1-5,13H
InChIKeyGNPMDICHRWJYRV-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.36
Rot. Bonds3

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

N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide (PubChem CID 43427435) has the molecular formula C9H6BrClN2O2S2 and a molecular weight of 353.65 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
PubChem CID43427435
Molecular FormulaC9H6BrClN2O2S2
Molecular Weight353.65 g/mol
Exact Mass351.87
IUPAC NameN-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1cnc(Cl)s1
InChIInChI=1S/C9H6BrClN2O2S2/c10-6-1-3-7(4-2-6)13-17(14,15)8-5-12-9(11)16-8/h1-5,13H
InChIKeyGNPMDICHRWJYRV-UHFFFAOYSA-N
XLogP3.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 61051227
methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate
CID 60749436
2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide
CID 61047553
4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide
CID 60749460
2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455933
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61053705
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 61051625
N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 65467042
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 107573403
2-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 61229017
2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443
2-chloro-N-(2-chloro-5-iodophenyl)-1,3-thiazole-5-sulfonamide
CID 114259497

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide (CID 43427435) is N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1ccc(Br)cc1)c1cnc(Cl)s1.
What is the InChIKey of N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
The InChIKey is GNPMDICHRWJYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2S2/c10-6-1-3-7(4-2-6)13-17(14,15)8-5-12-9(11)16-8/h1-5,13H.
What are the key properties of N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide has a molecular weight of 353.65 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43427435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).