N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide

C18H23N3O3S — CID 71429536

IUPACN-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccccc2)c(NC(C)=O)c1
InChIInChI=1S/C18H23N3O3S/c1-4-21(5-2)15-11-12-17(18(13-15)19-14(3)22)20-25(23,24)16-9-7-6-8-10-16/h6-13,20H,4-5H2,1-3H3,(H,19,22)
InChIKeyFATKZHHRDZPHCS-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.29
Rot. Bonds7

About N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide

N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide (PubChem CID 71429536) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide
PubChem CID71429536
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccccc2)c(NC(C)=O)c1
InChIInChI=1S/C18H23N3O3S/c1-4-21(5-2)15-11-12-17(18(13-15)19-14(3)22)20-25(23,24)16-9-7-6-8-10-16/h6-13,20H,4-5H2,1-3H3,(H,19,22)
InChIKeyFATKZHHRDZPHCS-UHFFFAOYSA-N
XLogP3.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide?
The IUPAC name of N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide (CID 71429536) is N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide?
The canonical SMILES for N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccccc2)c(NC(C)=O)c1.
What is the InChIKey of N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide?
The InChIKey is FATKZHHRDZPHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-21(5-2)15-11-12-17(18(13-15)19-14(3)22)20-25(23,24)16-9-7-6-8-10-16/h6-13,20H,4-5H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide?
N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 71429536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).