N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide

C24H24ClN3O4S — CID 67319655

IUPACN-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide
SMILESO=C(c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)c1)N1CCCC(O)C1
InChIInChI=1S/C24H24ClN3O4S/c25-20-10-8-18(9-11-20)16-28(33(31,32)23-7-2-12-26-15-23)21-5-1-4-19(14-21)24(30)27-13-3-6-22(29)17-27/h1-2,4-5,7-12,14-15,22,29H,3,6,13,16-17H2
InChIKeyILXHPEKIVRYEAB-UHFFFAOYSA-N
MW485.99 g/mol
LogP3.73
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide

N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide (PubChem CID 67319655) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide
PubChem CID67319655
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide
SMILESO=C(c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)c1)N1CCCC(O)C1
InChIInChI=1S/C24H24ClN3O4S/c25-20-10-8-18(9-11-20)16-28(33(31,32)23-7-2-12-26-15-23)21-5-1-4-19(14-21)24(30)27-13-3-6-22(29)17-27/h1-2,4-5,7-12,14-15,22,29H,3,6,13,16-17H2
InChIKeyILXHPEKIVRYEAB-UHFFFAOYSA-N
XLogP3.73
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]pyridine-3-sulfonamide
CID 66648190
3-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-cyclopropylbenzamide;3-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-(2-methoxyethyl)benzamide
CID 158026032
3-[(4-chlorophenyl)methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]-N-propan-2-ylbenzamide;3-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-N-propan-2-ylbenzamide
CID 87089385
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 60540058
N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 1100955
1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide
CID 75476075
ethyl 3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 60611098
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124942086
2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide
CID 155968088
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
[3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618457

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide (CID 67319655) is N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide is O=C(c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)c1)N1CCCC(O)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide?
The InChIKey is ILXHPEKIVRYEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c25-20-10-8-18(9-11-20)16-28(33(31,32)23-7-2-12-26-15-23)21-5-1-4-19(14-21)24(30)27-13-3-6-22(29)17-27/h1-2,4-5,7-12,14-15,22,29H,3,6,13,16-17H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide?
N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide has a molecular weight of 485.99 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 67319655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).