5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide

C11H9BrClNO2S2 — CID 65031324

IUPAC5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(CCl)cc1)c1ccc(Br)s1
InChIInChI=1S/C11H9BrClNO2S2/c12-10-5-6-11(17-10)18(15,16)14-9-3-1-8(7-13)2-4-9/h1-6,14H,7H2
InChIKeyCBBYNGSYWKMIBM-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.05
Rot. Bonds4

About 5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide

5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 65031324) has the molecular formula C11H9BrClNO2S2 and a molecular weight of 366.69 g/mol. Its IUPAC name is 5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID65031324
Molecular FormulaC11H9BrClNO2S2
Molecular Weight366.69 g/mol
Exact Mass364.89
IUPAC Name5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(CCl)cc1)c1ccc(Br)s1
InChIInChI=1S/C11H9BrClNO2S2/c12-10-5-6-11(17-10)18(15,16)14-9-3-1-8(7-13)2-4-9/h1-6,14H,7H2
InChIKeyCBBYNGSYWKMIBM-UHFFFAOYSA-N
XLogP4.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide
CID 106911151
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
2-bromo-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65030964
5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide
CID 112981010
5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 2206115
5-bromo-N-(4-propoxyphenyl)thiophene-2-sulfonamide
CID 62328183
5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126134587
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-chloro-N-[4-(sulfamoylmethyl)phenyl]thiophene-2-sulfonamide
CID 24650329

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide (CID 65031324) is 5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(CCl)cc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is CBBYNGSYWKMIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO2S2/c12-10-5-6-11(17-10)18(15,16)14-9-3-1-8(7-13)2-4-9/h1-6,14H,7H2.
What are the key properties of 5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide?
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 366.69 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 65031324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).