N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide

C11H9BrClNO2S2 — CID 113271462

IUPACN-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CBr)c1ccc(Cl)s1
InChIInChI=1S/C11H9BrClNO2S2/c12-7-8-3-1-2-4-9(8)14-18(15,16)11-6-5-10(13)17-11/h1-6,14H,7H2
InChIKeyYHZVDDYMYSIMSP-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.10
Rot. Bonds4

About N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide

N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 113271462) has the molecular formula C11H9BrClNO2S2 and a molecular weight of 366.69 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
PubChem CID113271462
Molecular FormulaC11H9BrClNO2S2
Molecular Weight366.69 g/mol
Exact Mass364.89
IUPAC NameN-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CBr)c1ccc(Cl)s1
InChIInChI=1S/C11H9BrClNO2S2/c12-7-8-3-1-2-4-9(8)14-18(15,16)11-6-5-10(13)17-11/h1-6,14H,7H2
InChIKeyYHZVDDYMYSIMSP-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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

5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606054
5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide
CID 114296086
N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide
CID 8025055
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238
N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400700
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
5-chloro-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 4845679
N-[2-(bromomethyl)phenyl]methanesulfonamide
CID 114296091
5-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide
CID 53190702
5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide
CID 35367955
3-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 113341680

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide (CID 113271462) is N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide is O=S(=O)(Nc1ccccc1CBr)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is YHZVDDYMYSIMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO2S2/c12-7-8-3-1-2-4-9(8)14-18(15,16)11-6-5-10(13)17-11/h1-6,14H,7H2.
What are the key properties of N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide?
N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 366.69 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 113271462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).