3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide

C13H10BrN3O2S2 — CID 61456011

IUPAC3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-n2ccnc2)c1)c1sccc1Br
InChIInChI=1S/C13H10BrN3O2S2/c14-12-4-7-20-13(12)21(18,19)16-10-2-1-3-11(8-10)17-6-5-15-9-17/h1-9,16H
InChIKeyGVRWIYCXBDMIEW-UHFFFAOYSA-N
MW384.28 g/mol
LogP3.50
Rot. Bonds4

About 3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide

3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide (PubChem CID 61456011) has the molecular formula C13H10BrN3O2S2 and a molecular weight of 384.28 g/mol. Its IUPAC name is 3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide
PubChem CID61456011
Molecular FormulaC13H10BrN3O2S2
Molecular Weight384.28 g/mol
Exact Mass382.94
IUPAC Name3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-n2ccnc2)c1)c1sccc1Br
InChIInChI=1S/C13H10BrN3O2S2/c14-12-4-7-20-13(12)21(18,19)16-10-2-1-3-11(8-10)17-6-5-15-9-17/h1-9,16H
InChIKeyGVRWIYCXBDMIEW-UHFFFAOYSA-N
XLogP3.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-3-imidazol-1-ylaniline
CID 115379889
1-[3-(sulfamoylamino)phenyl]imidazole
CID 112573328
3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
CID 61062460
3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 61458006
3-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 76904504
3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678363
3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
CID 61072946
3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide
CID 61061972
3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55119423
5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
CID 61458150
3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide
CID 61062582

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide (CID 61456011) is 3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(-n2ccnc2)c1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is GVRWIYCXBDMIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S2/c14-12-4-7-20-13(12)21(18,19)16-10-2-1-3-11(8-10)17-6-5-15-9-17/h1-9,16H.
What are the key properties of 3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide?
3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 384.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-imidazol-1-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61456011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).