N-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide

C30H26N4O2S — CID 141287524

IUPACN-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC(Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccn1)c1cccnc1
InChIInChI=1S/C30H26N4O2S/c35-37(36,28-14-9-20-31-23-28)33-30(29-15-7-8-21-32-29)22-24-16-18-27(19-17-24)34(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-21,23,30,33H,22H2
InChIKeyTYSTVCGLDUVGHU-UHFFFAOYSA-N
MW506.63 g/mol
LogP6.21
Rot. Bonds9

About N-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide

N-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide (PubChem CID 141287524) has the molecular formula C30H26N4O2S and a molecular weight of 506.63 g/mol. Its IUPAC name is N-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide
PubChem CID141287524
Molecular FormulaC30H26N4O2S
Molecular Weight506.63 g/mol
Exact Mass506.18
IUPAC NameN-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC(Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccn1)c1cccnc1
InChIInChI=1S/C30H26N4O2S/c35-37(36,28-14-9-20-31-23-28)33-30(29-15-7-8-21-32-29)22-24-16-18-27(19-17-24)34(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-21,23,30,33H,22H2
InChIKeyTYSTVCGLDUVGHU-UHFFFAOYSA-N
XLogP6.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.63
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyridin-2-yltridecyl)benzenesulfonamide
CID 54173262
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(4-phenylphenyl)-1-(pyridin-3-ylsulfonylamino)ethyl]-2-pyridinyl]amino]acetate
CID 86716526
2-[[6-[2-(4-pyridazin-4-ylphenyl)-1-(pyridin-3-ylsulfonylamino)ethyl]-2-pyridinyl]amino]acetic acid
CID 66717331
[propan-2-yl-[6-[2-(4-pyrazol-1-ylphenyl)-1-(pyridin-3-ylsulfonylamino)ethyl]-2-pyridinyl]amino] acetate
CID 122668954
tert-butyl 2-[[6-[2-[4-(methylamino)phenyl]-1-(pyridin-3-ylsulfonylamino)ethyl]-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 86668238
2-[[6-[2-(4-bromophenyl)-1-(pyridin-3-ylsulfonylamino)ethyl]-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 68650032
tert-butyl 2-[[6-[2-[4-(3-methylpentan-3-yl)phenyl]-1-(pyridin-3-ylsulfonylamino)ethyl]-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 86672245
2-[[6-[2-[4-(1-butylcyclopropyl)phenyl]-1-(pyridin-3-ylsulfonylamino)ethyl]-2-pyridinyl]amino]acetic acid;hydrochloride
CID 70941425
tert-butyl 2-[[6-[2-(4-tert-butylphenyl)-1-(pyridin-3-ylsulfonylamino)ethyl]-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 86672252
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(4-pentan-3-ylphenyl)-1-(pyridin-3-ylsulfonylamino)ethyl]-2-pyridinyl]amino] acetate
CID 150896052
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 56791178

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide (CID 141287524) is N-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide is O=S(=O)(NC(Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccn1)c1cccnc1.
What is the InChIKey of N-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide?
The InChIKey is TYSTVCGLDUVGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2S/c35-37(36,28-14-9-20-31-23-28)33-30(29-15-7-8-21-32-29)22-24-16-18-27(19-17-24)34(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-21,23,30,33H,22H2.
What are the key properties of N-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide?
N-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide has a molecular weight of 506.63 g/mol, XLogP of 6.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(N-phenylanilino)phenyl]-1-pyridin-2-ylethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 141287524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).