5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide

C11H10BrNO3S2 — CID 54903909

IUPAC5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccc(O)c1)c1ccc(Br)s1
InChIInChI=1S/C11H10BrNO3S2/c12-10-4-5-11(17-10)18(15,16)13-7-8-2-1-3-9(14)6-8/h1-6,13-14H,7H2
InChIKeyCJNIFRJQGYCZCC-UHFFFAOYSA-N
MW348.24 g/mol
LogP2.69
Rot. Bonds4

About 5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide

5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 54903909) has the molecular formula C11H10BrNO3S2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID54903909
Molecular FormulaC11H10BrNO3S2
Molecular Weight348.24 g/mol
Exact Mass346.93
IUPAC Name5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccc(O)c1)c1ccc(Br)s1
InChIInChI=1S/C11H10BrNO3S2/c12-10-4-5-11(17-10)18(15,16)13-7-8-2-1-3-9(14)6-8/h1-6,13-14H,7H2
InChIKeyCJNIFRJQGYCZCC-UHFFFAOYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 3745501
N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
CID 6621397
N-[[3-(bromomethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 113271866
5-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 61059094
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
CID 61018710
5-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 106272347
1-[(dimethylsulfamoylamino)methyl]-3-hydroxybenzene
CID 61018712
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 65345395
5-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61026620
5-bromo-N-[(2,5-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 3714744
5-bromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 6737105

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide (CID 54903909) is 5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1cccc(O)c1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is CJNIFRJQGYCZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3S2/c12-10-4-5-11(17-10)18(15,16)13-7-8-2-1-3-9(14)6-8/h1-6,13-14H,7H2.
What are the key properties of 5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 348.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 54903909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).