5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide

C10H8BrNO3S3 — CID 12736876

IUPAC5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C10H8BrNO3S3/c11-7-1-3-8(4-2-7)17(13)9-5-6-10(16-9)18(12,14)15/h1-6H,(H2,12,14,15)
InChIKeyFCZLMZVFTUDDIY-UHFFFAOYSA-N
MW366.28 g/mol
LogP2.32
Rot. Bonds3

About 5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide

5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide (PubChem CID 12736876) has the molecular formula C10H8BrNO3S3 and a molecular weight of 366.28 g/mol. Its IUPAC name is 5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide
PubChem CID12736876
Molecular FormulaC10H8BrNO3S3
Molecular Weight366.28 g/mol
Exact Mass364.88
IUPAC Name5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C10H8BrNO3S3/c11-7-1-3-8(4-2-7)17(13)9-5-6-10(16-9)18(12,14)15/h1-6H,(H2,12,14,15)
InChIKeyFCZLMZVFTUDDIY-UHFFFAOYSA-N
XLogP2.32
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-thienylmethyl)benzenesulfonamide
CID 887265
4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 5305628
5-(Phenylsulfonyl)thiophene-2-Sulfonamide
CID 10828282
5-(Phenylthio)thiophene-2-sulfonamide
CID 2778824
2-Thiophenesulfonamide,4-bromo-5-(phenylthio)-
CID 12736849
2-Thiophenesulfonamide,5-[(4-bromophenyl)thio]-
CID 12736856
2-Thiophenesulfonamide,5-(phenylsulfinyl)-
CID 12736869
2-Thiophenesulfonamide,4-bromo-5-(phenylsulfonyl)-
CID 12736882
2-Thiophenesulfonamide,5-[(4-bromophenyl)sulfonyl]-
CID 12736889
9-(4-Bromophenyl)-7lambda6,9lambda4-dithia-8-azabicyclo[4.3.0]nona-1,3,5,8-tetraene 7,7-dioxide
CID 57397389
3-[(4-Bromophenyl)sulfonyl]benzenesulfonamide
CID 1119028
5-bromo-N-[2-(phenylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 1815768

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide?
The IUPAC name of 5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide (CID 12736876) is 5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide is NS(=O)(=O)c1ccc(S(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of 5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide?
The InChIKey is FCZLMZVFTUDDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3S3/c11-7-1-3-8(4-2-7)17(13)9-5-6-10(16-9)18(12,14)15/h1-6H,(H2,12,14,15).
What are the key properties of 5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide?
5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide has a molecular weight of 366.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)sulfinylthiophene-2-sulfonamide is sourced from PubChem (CID 12736876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).