2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide

C19H26N2O3S — CID 5268897

IUPAC2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide
SMILESCOc1c(C(C)C)cc(NS(=O)(=O)c2ccccc2N)cc1C(C)C
InChIInChI=1S/C19H26N2O3S/c1-12(2)15-10-14(11-16(13(3)4)19(15)24-5)21-25(22,23)18-9-7-6-8-17(18)20/h6-13,21H,20H2,1-5H3
InChIKeyTXFFQQQQVCPTFY-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.32
Rot. Bonds6

About 2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide

2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide (PubChem CID 5268897) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide
PubChem CID5268897
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide
SMILESCOc1c(C(C)C)cc(NS(=O)(=O)c2ccccc2N)cc1C(C)C
InChIInChI=1S/C19H26N2O3S/c1-12(2)15-10-14(11-16(13(3)4)19(15)24-5)21-25(22,23)18-9-7-6-8-17(18)20/h6-13,21H,20H2,1-5H3
InChIKeyTXFFQQQQVCPTFY-UHFFFAOYSA-N
XLogP4.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide (CID 5268897) is 2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide is COc1c(C(C)C)cc(NS(=O)(=O)c2ccccc2N)cc1C(C)C.
What is the InChIKey of 2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide?
The InChIKey is TXFFQQQQVCPTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-12(2)15-10-14(11-16(13(3)4)19(15)24-5)21-25(22,23)18-9-7-6-8-17(18)20/h6-13,21H,20H2,1-5H3.
What are the key properties of 2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide?
2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 5268897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).