4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide

C16H25ClN2O2S — CID 60605262

IUPAC4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)CCN1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN2O2S/c1-13(2)7-10-19-11-8-15(9-12-19)18-22(20,21)16-5-3-14(17)4-6-16/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyVKPYVUNGOQKXPG-UHFFFAOYSA-N
MW344.91 g/mol
LogP3.13
Rot. Bonds6

About 4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide

4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 60605262) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
PubChem CID60605262
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)CCN1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN2O2S/c1-13(2)7-10-19-11-8-15(9-12-19)18-22(20,21)16-5-3-14(17)4-6-16/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyVKPYVUNGOQKXPG-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide (CID 60605262) is 4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide is CC(C)CCN1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is VKPYVUNGOQKXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2S/c1-13(2)7-10-19-11-8-15(9-12-19)18-22(20,21)16-5-3-14(17)4-6-16/h3-6,13,15,18H,7-12H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide?
4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 344.91 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 60605262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).