4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide

C18H21BrN2O4S2 — CID 17248777

IUPAC4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O4S2/c19-16-6-10-17(11-7-16)26(22,23)20-14-15-4-8-18(9-5-15)27(24,25)21-12-2-1-3-13-21/h4-11,20H,1-3,12-14H2
InChIKeySEYIJXHYSMEPCO-UHFFFAOYSA-N
MW473.41 g/mol
LogP3.10
Rot. Bonds6

About 4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide

4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide (PubChem CID 17248777) has the molecular formula C18H21BrN2O4S2 and a molecular weight of 473.41 g/mol. Its IUPAC name is 4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
PubChem CID17248777
Molecular FormulaC18H21BrN2O4S2
Molecular Weight473.41 g/mol
Exact Mass472.01
IUPAC Name4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O4S2/c19-16-6-10-17(11-7-16)26(22,23)20-14-15-4-8-18(9-5-15)27(24,25)21-12-2-1-3-13-21/h4-11,20H,1-3,12-14H2
InChIKeySEYIJXHYSMEPCO-UHFFFAOYSA-N
XLogP3.10
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 1274641
N-[(4-bromophenyl)methyl]azepane-1-sulfonamide
CID 55223918
3,4-dimethoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248759
2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 52565659
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098
4-bromo-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 3774479
1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide
CID 55530270
4-[(4-bromophenyl)methylsulfamoyl]benzoic acid
CID 60725668
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861824
3-chloro-4-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248763
1-(4-bromophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 112828630

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide (CID 17248777) is 4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide?
The InChIKey is SEYIJXHYSMEPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S2/c19-16-6-10-17(11-7-16)26(22,23)20-14-15-4-8-18(9-5-15)27(24,25)21-12-2-1-3-13-21/h4-11,20H,1-3,12-14H2.
What are the key properties of 4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide?
4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide has a molecular weight of 473.41 g/mol, XLogP of 3.10, 6 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)methyl]benzenesulfonamide is sourced from PubChem (CID 17248777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).