N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide

C19H18N2O5S2 — CID 3720867

IUPACN-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide
SMILESCOc1ccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c(N)c1
InChIInChI=1S/C19H18N2O5S2/c1-26-15-12-13-19(18(20)14-15)21(27(22,23)16-8-4-2-5-9-16)28(24,25)17-10-6-3-7-11-17/h2-14H,20H2,1H3
InChIKeyIBEMNPNJIFGUMI-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.86
Rot. Bonds6

About N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide

N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide (PubChem CID 3720867) has the molecular formula C19H18N2O5S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide
PubChem CID3720867
Molecular FormulaC19H18N2O5S2
Molecular Weight418.50 g/mol
Exact Mass418.07
IUPAC NameN-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide
SMILESCOc1ccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c(N)c1
InChIInChI=1S/C19H18N2O5S2/c1-26-15-12-13-19(18(20)14-15)21(27(22,23)16-8-4-2-5-9-16)28(24,25)17-10-6-3-7-11-17/h2-14H,20H2,1H3
InChIKeyIBEMNPNJIFGUMI-UHFFFAOYSA-N
XLogP2.86
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide (CID 3720867) is N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide is COc1ccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide?
The InChIKey is IBEMNPNJIFGUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S2/c1-26-15-12-13-19(18(20)14-15)21(27(22,23)16-8-4-2-5-9-16)28(24,25)17-10-6-3-7-11-17/h2-14H,20H2,1H3.
What are the key properties of N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide?
N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide has a molecular weight of 418.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide is sourced from PubChem (CID 3720867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).