N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide

C7H10BrClN2O2S2 — CID 116814916

IUPACN-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ncc(Br)s1
InChIInChI=1S/C7H10BrClN2O2S2/c8-6-5-10-7(14-6)11-15(12,13)4-2-1-3-9/h5H,1-4H2,(H,10,11)
InChIKeyXOXAGDBNQWYSNW-UHFFFAOYSA-N
MW333.66 g/mol
LogP2.67
Rot. Bonds6

About N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide

N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide (PubChem CID 116814916) has the molecular formula C7H10BrClN2O2S2 and a molecular weight of 333.66 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide
PubChem CID116814916
Molecular FormulaC7H10BrClN2O2S2
Molecular Weight333.66 g/mol
Exact Mass331.91
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ncc(Br)s1
InChIInChI=1S/C7H10BrClN2O2S2/c8-6-5-10-7(14-6)11-15(12,13)4-2-1-3-9/h5H,1-4H2,(H,10,11)
InChIKeyXOXAGDBNQWYSNW-UHFFFAOYSA-N
XLogP2.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]butanoic acid
CID 60785429
N-(5-bromo-1,3-thiazol-2-yl)-2-methylsulfonylethanesulfonamide
CID 55219468
N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 60893054
4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 116814761
4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide
CID 116816033
ethyl 2-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]acetate
CID 61457278
4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide
CID 107602655
N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 60785293
N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54974227
N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide
CID 60640161
4-chloro-N-(2,6-dibromo-4-methylphenyl)butane-1-sulfonamide
CID 116814857
4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide (CID 116814916) is N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide is O=S(=O)(CCCCCl)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide?
The InChIKey is XOXAGDBNQWYSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrClN2O2S2/c8-6-5-10-7(14-6)11-15(12,13)4-2-1-3-9/h5H,1-4H2,(H,10,11).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide has a molecular weight of 333.66 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobutane-1-sulfonamide is sourced from PubChem (CID 116814916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).