N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide

C25H23N3O2S — CID 67859373

IUPACN-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C25H23N3O2S/c29-31(30,19-20-8-3-1-4-9-20)28-25-13-7-12-24(18-25)27-23-16-14-22(15-17-23)26-21-10-5-2-6-11-21/h1-18,26-28H,19H2
InChIKeyBGORXZIOPHHGPO-UHFFFAOYSA-N
MW429.55 g/mol
LogP6.12
Rot. Bonds8

About N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide

N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide (PubChem CID 67859373) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
PubChem CID67859373
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C25H23N3O2S/c29-31(30,19-20-8-3-1-4-9-20)28-25-13-7-12-24(18-25)27-23-16-14-22(15-17-23)26-21-10-5-2-6-11-21/h1-18,26-28H,19H2
InChIKeyBGORXZIOPHHGPO-UHFFFAOYSA-N
XLogP6.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 56.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-fluorophenyl)-1-phenylmethanesulfonamide
CID 65430137
N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide
CID 16794346
3-(benzylsulfonylamino)-N-phenylbenzamide
CID 166181432
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide
CID 6457501
N-(2H-benzotriazol-5-yl)-1-phenylmethanesulfonamide
CID 74225109
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide
CID 16776379
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide (CID 67859373) is N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ccc(Nc3ccccc3)cc2)c1.
What is the InChIKey of N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is BGORXZIOPHHGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c29-31(30,19-20-8-3-1-4-9-20)28-25-13-7-12-24(18-25)27-23-16-14-22(15-17-23)26-21-10-5-2-6-11-21/h1-18,26-28H,19H2.
What are the key properties of N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide?
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 429.55 g/mol, XLogP of 6.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 67859373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).