2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide

C12H18N2O5S2 — CID 62145782

IUPAC2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(N)c(S(=O)(=O)NC2CCOCC2)c1
InChIInChI=1S/C12H18N2O5S2/c1-20(15,16)10-2-3-11(13)12(8-10)21(17,18)14-9-4-6-19-7-5-9/h2-3,8-9,14H,4-7,13H2,1H3
InChIKeyTWEUDNWHQQZOMS-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.13
Rot. Bonds4

About 2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide

2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 62145782) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID62145782
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(N)c(S(=O)(=O)NC2CCOCC2)c1
InChIInChI=1S/C12H18N2O5S2/c1-20(15,16)10-2-3-11(13)12(8-10)21(17,18)14-9-4-6-19-7-5-9/h2-3,8-9,14H,4-7,13H2,1H3
InChIKeyTWEUDNWHQQZOMS-UHFFFAOYSA-N
XLogP0.13
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.13
H-Bond Donors ≤ 52
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 2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide (CID 62145782) is 2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide is CS(=O)(=O)c1ccc(N)c(S(=O)(=O)NC2CCOCC2)c1.
What is the InChIKey of 2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is TWEUDNWHQQZOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-20(15,16)10-2-3-11(13)12(8-10)21(17,18)14-9-4-6-19-7-5-9/h2-3,8-9,14H,4-7,13H2,1H3.
What are the key properties of 2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide?
2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 62145782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).