3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide

C12H15BrN2O3S — CID 125468124

IUPAC3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCNC(=O)C2)cc1Br
InChIInChI=1S/C12H15BrN2O3S/c1-8-2-3-10(7-11(8)13)19(17,18)15-9-4-5-14-12(16)6-9/h2-3,7,9,15H,4-6H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyWUSZFSKGGHQIKQ-VIFPVBQESA-N
MW347.23 g/mol
LogP1.31
Rot. Bonds3

About 3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide

3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide (PubChem CID 125468124) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide
PubChem CID125468124
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCNC(=O)C2)cc1Br
InChIInChI=1S/C12H15BrN2O3S/c1-8-2-3-10(7-11(8)13)19(17,18)15-9-4-5-14-12(16)6-9/h2-3,7,9,15H,4-6H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyWUSZFSKGGHQIKQ-VIFPVBQESA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181069
4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960505
5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
CID 104696894
4-bromo-3-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964198
2-methyl-N-(2-oxopiperidin-4-yl)propane-2-sulfonamide
CID 167069682
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
N-[2-methyl-5-(piperidin-4-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119960595
2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 105056081
4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62490790
2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 104696900
4-bromo-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 103828887
3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181167

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide (CID 125468124) is 3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2CCNC(=O)C2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide?
The InChIKey is WUSZFSKGGHQIKQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-8-2-3-10(7-11(8)13)19(17,18)15-9-4-5-14-12(16)6-9/h2-3,7,9,15H,4-6H2,1H3,(H,14,16)/t9-/m0/s1.
What are the key properties of 3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide?
3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide has a molecular weight of 347.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[(4S)-2-oxopiperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 125468124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).