4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide

C15H21N3O2S — CID 103828937

IUPAC4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NC(C)C1CCCNC1
InChIInChI=1S/C15H21N3O2S/c1-11-8-13(9-16)5-6-15(11)21(19,20)18-12(2)14-4-3-7-17-10-14/h5-6,8,12,14,17-18H,3-4,7,10H2,1-2H3
InChIKeyCMYFWIVMHVJQEY-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.53
Rot. Bonds4

About 4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide

4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 103828937) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID103828937
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NC(C)C1CCCNC1
InChIInChI=1S/C15H21N3O2S/c1-11-8-13(9-16)5-6-15(11)21(19,20)18-12(2)14-4-3-7-17-10-14/h5-6,8,12,14,17-18H,3-4,7,10H2,1-2H3
InChIKeyCMYFWIVMHVJQEY-UHFFFAOYSA-N
XLogP1.53
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970420
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970419
6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 120874806
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970327
3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 119970212
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62046207
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970282
4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 120708183
2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62047418
2-chloro-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970329

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide (CID 103828937) is 4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)NC(C)C1CCCNC1.
What is the InChIKey of 4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is CMYFWIVMHVJQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-8-13(9-16)5-6-15(11)21(19,20)18-12(2)14-4-3-7-17-10-14/h5-6,8,12,14,17-18H,3-4,7,10H2,1-2H3.
What are the key properties of 4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 103828937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).