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

C11H10BrClN2O2S2 — CID 61053705

IUPACN-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)s1)c1ccc(Br)cc1
InChIInChI=1S/C11H10BrClN2O2S2/c1-7(8-2-4-9(12)5-3-8)15-19(16,17)10-6-14-11(13)18-10/h2-7,15H,1H3
InChIKeyXDSLGFLQFNNYRB-UHFFFAOYSA-N
MW381.70 g/mol
LogP3.60
Rot. Bonds4

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

N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide (PubChem CID 61053705) has the molecular formula C11H10BrClN2O2S2 and a molecular weight of 381.70 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
PubChem CID61053705
Molecular FormulaC11H10BrClN2O2S2
Molecular Weight381.70 g/mol
Exact Mass379.91
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)s1)c1ccc(Br)cc1
InChIInChI=1S/C11H10BrClN2O2S2/c1-7(8-2-4-9(12)5-3-8)15-19(16,17)10-6-14-11(13)18-10/h2-7,15H,1H3
InChIKeyXDSLGFLQFNNYRB-UHFFFAOYSA-N
XLogP3.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 3835268
5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
CID 107868984
N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053706
2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide
CID 61052546
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide
CID 61051781
2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 61472310
6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide
CID 64601294
N-[1-(4-bromophenyl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
CID 47164706
N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 61051227
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide
CID 61051605
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide (CID 61053705) is N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide is CC(NS(=O)(=O)c1cnc(Cl)s1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide?
The InChIKey is XDSLGFLQFNNYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2S2/c1-7(8-2-4-9(12)5-3-8)15-19(16,17)10-6-14-11(13)18-10/h2-7,15H,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide?
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide has a molecular weight of 381.70 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61053705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).