N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide

C15H18N2O3S — CID 43369627

IUPACN-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide
SMILESNCCOc1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H18N2O3S/c16-10-11-20-15-8-6-14(7-9-15)17-21(18,19)12-13-4-2-1-3-5-13/h1-9,17H,10-12,16H2
InChIKeyDCVBQDPAOBZRSL-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.97
Rot. Bonds7

About N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide

N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide (PubChem CID 43369627) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide
PubChem CID43369627
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide
SMILESNCCOc1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H18N2O3S/c16-10-11-20-15-8-6-14(7-9-15)17-21(18,19)12-13-4-2-1-3-5-13/h1-9,17H,10-12,16H2
InChIKeyDCVBQDPAOBZRSL-UHFFFAOYSA-N
XLogP1.97
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide
CID 110776970
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
CID 63765237
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
methyl 4-(benzylsulfonylamino)benzoate
CID 743645
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide
CID 103298449
N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide
CID 43369622
2-[4-(benzylsulfonylamino)phenyl]-2-hydroxyacetamide
CID 89464651
4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide
CID 55060020
N-(4-propoxyphenyl)ethanesulfonamide
CID 50895245

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide (CID 43369627) is N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide is NCCOc1ccc(NS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is DCVBQDPAOBZRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c16-10-11-20-15-8-6-14(7-9-15)17-21(18,19)12-13-4-2-1-3-5-13/h1-9,17H,10-12,16H2.
What are the key properties of N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide?
N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 43369627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).