N-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide

C20H20N2O3S — CID 4655388

IUPACN-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(N)cc2O)cc1
InChIInChI=1S/C20H20N2O3S/c1-15-7-10-18(11-8-15)26(24,25)22(14-16-5-3-2-4-6-16)19-12-9-17(21)13-20(19)23/h2-13,23H,14,21H2,1H3
InChIKeyIRUQUDYGEDZCLL-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.68
Rot. Bonds5

About N-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide

N-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide (PubChem CID 4655388) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide
PubChem CID4655388
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(N)cc2O)cc1
InChIInChI=1S/C20H20N2O3S/c1-15-7-10-18(11-8-15)26(24,25)22(14-16-5-3-2-4-6-16)19-12-9-17(21)13-20(19)23/h2-13,23H,14,21H2,1H3
InChIKeyIRUQUDYGEDZCLL-UHFFFAOYSA-N
XLogP3.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-hydroxyphenyl)methylamino]propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 44532007
N-[(3-Hydroxy-phenylamino)-phenyl-methylene]-4-methyl-benzenesulfonamide
CID 5971718
N,4-bis(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 73346456
N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide
CID 73349502
N-[4-[(4-butan-2-ylphenyl)sulfonylamino]-3-hydroxyphenyl]-2-methylprop-2-enamide
CID 320917
[(4S)-3,3-difluoro-4-(2-hydroxyanilino)-4-phenylbut-1-en-2-yl] 4-methylbenzenesulfonate
CID 138981019
(Z)-N-(3-hydroxyphenyl)-N'-(4-methylbenzenesulfonyl)benzenecarboximidamide
CID 2872807
N-[1-[(2,6-difluorophenyl)methylamino]propan-2-yl]-N-(2-fluoro-5-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 142014244
N-[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-methylbenzenesulfonamide
CID 166165194
N-[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 166165227
N-[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 166165237
4-tert-butyl-N-[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]benzenesulfonamide
CID 166165238

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide (CID 4655388) is N-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(N)cc2O)cc1.
What is the InChIKey of N-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide?
The InChIKey is IRUQUDYGEDZCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-15-7-10-18(11-8-15)26(24,25)22(14-16-5-3-2-4-6-16)19-12-9-17(21)13-20(19)23/h2-13,23H,14,21H2,1H3.
What are the key properties of N-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide?
N-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-hydroxyphenyl)-N-benzyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 4655388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).