5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

C11H11BrN2O2S3 — CID 3323683

IUPAC5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CCCC2)c1ccc(Br)s1
InChIInChI=1S/C11H11BrN2O2S3/c12-9-5-6-10(18-9)19(15,16)14-11-13-7-3-1-2-4-8(7)17-11/h5-6H,1-4H2,(H,13,14)
InChIKeyXYQDKTLOPLGKSW-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.65
Rot. Bonds3

About 5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 3323683) has the molecular formula C11H11BrN2O2S3 and a molecular weight of 379.33 g/mol. Its IUPAC name is 5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
PubChem CID3323683
Molecular FormulaC11H11BrN2O2S3
Molecular Weight379.33 g/mol
Exact Mass377.92
IUPAC Name5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CCCC2)c1ccc(Br)s1
InChIInChI=1S/C11H11BrN2O2S3/c12-9-5-6-10(18-9)19(15,16)14-11-13-7-3-1-2-4-8(7)17-11/h5-6H,1-4H2,(H,13,14)
InChIKeyXYQDKTLOPLGKSW-UHFFFAOYSA-N
XLogP3.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 22201655
4-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 116528503
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106053395
methyl 5-bromo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylsulfamoyl)benzoate
CID 112807953
3,4-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201612
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915
2,3,4,5,6-pentamethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201616
5-(aminomethyl)-2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-sulfonamide
CID 106053348
methyl 4-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylsulfamoyl)benzoate
CID 95907167
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 106053177
3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 60709101
2,3,5,6-tetramethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201617

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (CID 3323683) is 5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1nc2c(s1)CCCC2)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is XYQDKTLOPLGKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S3/c12-9-5-6-10(18-9)19(15,16)14-11-13-7-3-1-2-4-8(7)17-11/h5-6H,1-4H2,(H,13,14).
What are the key properties of 5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 379.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 3323683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).