4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

C17H19BrN2O4S2 — CID 1274641

IUPAC4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O4S2/c18-14-4-8-16(9-5-14)25(21,22)19-15-6-10-17(11-7-15)26(23,24)20-12-2-1-3-13-20/h4-11,19H,1-3,12-13H2
InChIKeyGRGYKKULTGUMMN-UHFFFAOYSA-N
MW459.39 g/mol
LogP3.42
Rot. Bonds5

About 4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 1274641) has the molecular formula C17H19BrN2O4S2 and a molecular weight of 459.39 g/mol. Its IUPAC name is 4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID1274641
Molecular FormulaC17H19BrN2O4S2
Molecular Weight459.39 g/mol
Exact Mass458.00
IUPAC Name4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O4S2/c18-14-4-8-16(9-5-14)25(21,22)19-15-6-10-17(11-7-15)26(23,24)20-12-2-1-3-13-20/h4-11,19H,1-3,12-13H2
InChIKeyGRGYKKULTGUMMN-UHFFFAOYSA-N
XLogP3.42
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
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-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1006732
4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248777
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-butan-2-ylbenzenesulfonamide
CID 19684570
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
N-[4-(azepan-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 25358932
N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1092315
2-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]phenyl]acetic acid
CID 45473270
2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824094

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 1274641) is 4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is GRGYKKULTGUMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S2/c18-14-4-8-16(9-5-14)25(21,22)19-15-6-10-17(11-7-15)26(23,24)20-12-2-1-3-13-20/h4-11,19H,1-3,12-13H2.
What are the key properties of 4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 459.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 1274641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).