2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide

C14H22N2O4S2 — CID 119964596

IUPAC2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC2CCCNC2)c1
InChIInChI=1S/C14H22N2O4S2/c1-10-7-13(21(3,17)18)11(2)14(8-10)22(19,20)16-12-5-4-6-15-9-12/h7-8,12,15-16H,4-6,9H2,1-3H3
InChIKeyMFYUWNBYHCZQQC-UHFFFAOYSA-N
MW346.47 g/mol
LogP0.74
Rot. Bonds4

About 2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide

2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 119964596) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
PubChem CID119964596
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Name2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC2CCCNC2)c1
InChIInChI=1S/C14H22N2O4S2/c1-10-7-13(21(3,17)18)11(2)14(8-10)22(19,20)16-12-5-4-6-15-9-12/h7-8,12,15-16H,4-6,9H2,1-3H3
InChIKeyMFYUWNBYHCZQQC-UHFFFAOYSA-N
XLogP0.74
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901
2,5-dimethyl-3-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124698243
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
2,5-dimethyl-3-methylsulfonyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979725
2,3-dimethyl-5-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716707
2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964177
2-fluoro-5-methylsulfonyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982715
2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723758
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide (CID 119964596) is 2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide is Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC2CCCNC2)c1.
What is the InChIKey of 2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is MFYUWNBYHCZQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-10-7-13(21(3,17)18)11(2)14(8-10)22(19,20)16-12-5-4-6-15-9-12/h7-8,12,15-16H,4-6,9H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide?
2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 346.47 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 119964596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).