N-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide

C24H33ClN2O3S — CID 44536894

IUPACN-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(OCCN3CCCCC3)c2)cc1
InChIInChI=1S/C24H33ClN2O3S/c1-4-24(2,3)19-8-11-21(12-9-19)31(28,29)26-20-10-13-22(25)23(18-20)30-17-16-27-14-6-5-7-15-27/h8-13,18,26H,4-7,14-17H2,1-3H3
InChIKeyRLZMFFYVEHDBSP-UHFFFAOYSA-N
MW465.06 g/mol
LogP5.69
Rot. Bonds9

About N-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide

N-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 44536894) has the molecular formula C24H33ClN2O3S and a molecular weight of 465.06 g/mol. Its IUPAC name is N-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID44536894
Molecular FormulaC24H33ClN2O3S
Molecular Weight465.06 g/mol
Exact Mass464.19
IUPAC NameN-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(OCCN3CCCCC3)c2)cc1
InChIInChI=1S/C24H33ClN2O3S/c1-4-24(2,3)19-8-11-21(12-9-19)31(28,29)26-20-10-13-22(25)23(18-20)30-17-16-27-14-6-5-7-15-27/h8-13,18,26H,4-7,14-17H2,1-3H3
InChIKeyRLZMFFYVEHDBSP-UHFFFAOYSA-N
XLogP5.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.06
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide (CID 44536894) is N-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(OCCN3CCCCC3)c2)cc1.
What is the InChIKey of N-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is RLZMFFYVEHDBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O3S/c1-4-24(2,3)19-8-11-21(12-9-19)31(28,29)26-20-10-13-22(25)23(18-20)30-17-16-27-14-6-5-7-15-27/h8-13,18,26H,4-7,14-17H2,1-3H3.
What are the key properties of N-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide?
N-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 465.06 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 44536894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).