4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide

C12H12BrNO3S2 — CID 110678457

IUPAC4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(Br)cs2)cc1
InChIInChI=1S/C12H12BrNO3S2/c1-17-11-4-2-9(3-5-11)7-14-19(15,16)12-6-10(13)8-18-12/h2-6,8,14H,7H2,1H3
InChIKeyLEEQNGPWZPYRFM-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.00
Rot. Bonds5

About 4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide

4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 110678457) has the molecular formula C12H12BrNO3S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID110678457
Molecular FormulaC12H12BrNO3S2
Molecular Weight362.27 g/mol
Exact Mass360.94
IUPAC Name4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(Br)cs2)cc1
InChIInChI=1S/C12H12BrNO3S2/c1-17-11-4-2-9(3-5-11)7-14-19(15,16)12-6-10(13)8-18-12/h2-6,8,14H,7H2,1H3
InChIKeyLEEQNGPWZPYRFM-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 146421787
5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 65202378
5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
CID 66546898
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
5-chloro-N-[(4-methoxyphenyl)methyl]-4-nitrothiophene-2-sulfonamide
CID 146421957
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765
4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 63362655
4-bromo-3-ethoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 91758592
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 110678457) is 4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2cc(Br)cs2)cc1.
What is the InChIKey of 4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is LEEQNGPWZPYRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3S2/c1-17-11-4-2-9(3-5-11)7-14-19(15,16)12-6-10(13)8-18-12/h2-6,8,14H,7H2,1H3.
What are the key properties of 4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 362.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110678457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).