N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide

C23H24ClN3O3S — CID 154876069

IUPACN-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(Cl)cc(-c2cncc(NS(=O)(=O)c3ccccc3)c2)c1OC1CCNCC1
InChIInChI=1S/C23H24ClN3O3S/c1-16-11-18(24)13-22(23(16)30-20-7-9-25-10-8-20)17-12-19(15-26-14-17)27-31(28,29)21-5-3-2-4-6-21/h2-6,11-15,20,25,27H,7-10H2,1H3
InChIKeyAZCUZDJOZZOYIP-UHFFFAOYSA-N
MW457.98 g/mol
LogP4.64
Rot. Bonds6

About N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide

N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 154876069) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide
PubChem CID154876069
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC NameN-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(Cl)cc(-c2cncc(NS(=O)(=O)c3ccccc3)c2)c1OC1CCNCC1
InChIInChI=1S/C23H24ClN3O3S/c1-16-11-18(24)13-22(23(16)30-20-7-9-25-10-8-20)17-12-19(15-26-14-17)27-31(28,29)21-5-3-2-4-6-21/h2-6,11-15,20,25,27H,7-10H2,1H3
InChIKeyAZCUZDJOZZOYIP-UHFFFAOYSA-N
XLogP4.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 167963136
N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 52936734
N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 3370012
4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 11566395
N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide
CID 67303116
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 52936735
4-[4-chloro-2-methyl-6-(2-phenylpyrazol-3-yl)phenoxy]piperidine;2,2,2-trifluoroacetic acid
CID 154876084
N-[5-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 52947519
3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714618
3-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 167978168
N-[5-[4-(1-acetylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[4-(oxan-4-yloxy)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-yloxypyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[5-(4-piperidin-4-ylsulfanylpyrido[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 158977133
3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide
CID 110872403

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide (CID 154876069) is N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide is Cc1cc(Cl)cc(-c2cncc(NS(=O)(=O)c3ccccc3)c2)c1OC1CCNCC1.
What is the InChIKey of N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is AZCUZDJOZZOYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-16-11-18(24)13-22(23(16)30-20-7-9-25-10-8-20)17-12-19(15-26-14-17)27-31(28,29)21-5-3-2-4-6-21/h2-6,11-15,20,25,27H,7-10H2,1H3.
What are the key properties of N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide?
N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 457.98 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 154876069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).