5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide

C15H17BrN2O4S3 — CID 1006732

IUPAC5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)s1
InChIInChI=1S/C15H17BrN2O4S3/c16-14-8-9-15(23-14)24(19,20)17-12-4-6-13(7-5-12)25(21,22)18-10-2-1-3-11-18/h4-9,17H,1-3,10-11H2
InChIKeyOOHYIWJFBFVLNR-UHFFFAOYSA-N
MW465.42 g/mol
LogP3.49
Rot. Bonds5

About 5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide

5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide (PubChem CID 1006732) has the molecular formula C15H17BrN2O4S3 and a molecular weight of 465.42 g/mol. Its IUPAC name is 5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
PubChem CID1006732
Molecular FormulaC15H17BrN2O4S3
Molecular Weight465.42 g/mol
Exact Mass463.95
IUPAC Name5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)s1
InChIInChI=1S/C15H17BrN2O4S3/c16-14-8-9-15(23-14)24(19,20)17-12-4-6-13(7-5-12)25(21,22)18-10-2-1-3-11-18/h4-9,17H,1-3,10-11H2
InChIKeyOOHYIWJFBFVLNR-UHFFFAOYSA-N
XLogP3.49
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 1274641
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1092315
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126132426
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 19684568
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566
5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126134587

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide (CID 1006732) is 5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
The InChIKey is OOHYIWJFBFVLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4S3/c16-14-8-9-15(23-14)24(19,20)17-12-4-6-13(7-5-12)25(21,22)18-10-2-1-3-11-18/h4-9,17H,1-3,10-11H2.
What are the key properties of 5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide has a molecular weight of 465.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 1006732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).