3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide

C12H18ClN3O2S — CID 83012745

IUPAC3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NN2CCCCC2)cc(N)c1Cl
InChIInChI=1S/C12H18ClN3O2S/c1-9-7-10(8-11(14)12(9)13)19(17,18)15-16-5-3-2-4-6-16/h7-8,15H,2-6,14H2,1H3
InChIKeySWIOHFMCHXZEBW-UHFFFAOYSA-N
MW303.82 g/mol
LogP1.91
Rot. Bonds3

About 3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide

3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide (PubChem CID 83012745) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.82 g/mol. Its IUPAC name is 3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide
PubChem CID83012745
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.82 g/mol
Exact Mass303.08
IUPAC Name3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NN2CCCCC2)cc(N)c1Cl
InChIInChI=1S/C12H18ClN3O2S/c1-9-7-10(8-11(14)12(9)13)19(17,18)15-16-5-3-2-4-6-16/h7-8,15H,2-6,14H2,1H3
InChIKeySWIOHFMCHXZEBW-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide (CID 83012745) is 3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)NN2CCCCC2)cc(N)c1Cl.
What is the InChIKey of 3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide?
The InChIKey is SWIOHFMCHXZEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-9-7-10(8-11(14)12(9)13)19(17,18)15-16-5-3-2-4-6-16/h7-8,15H,2-6,14H2,1H3.
What are the key properties of 3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide?
3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide has a molecular weight of 303.82 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-5-methyl-N-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 83012745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).