N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide

C22H33N3O4S — CID 175293651

IUPACN,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide
SMILESCCC(CCCS(=O)(=O)Nc1cccc(OCCN)c1)c1cccc(OCCN)c1
InChIInChI=1S/C22H33N3O4S/c1-2-18(19-6-3-9-21(16-19)28-13-11-23)7-5-15-30(26,27)25-20-8-4-10-22(17-20)29-14-12-24/h3-4,6,8-10,16-18,25H,2,5,7,11-15,23-24H2,1H3
InChIKeyCLNHAJWSJFDFSD-UHFFFAOYSA-N
MW435.59 g/mol
LogP3.08
Rot. Bonds14

About N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide

N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide (PubChem CID 175293651) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide.

Molecular Properties

Compound NameN,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide
PubChem CID175293651
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC NameN,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide
SMILESCCC(CCCS(=O)(=O)Nc1cccc(OCCN)c1)c1cccc(OCCN)c1
InChIInChI=1S/C22H33N3O4S/c1-2-18(19-6-3-9-21(16-19)28-13-11-23)7-5-15-30(26,27)25-20-8-4-10-22(17-20)29-14-12-24/h3-4,6,8-10,16-18,25H,2,5,7,11-15,23-24H2,1H3
InChIKeyCLNHAJWSJFDFSD-UHFFFAOYSA-N
XLogP3.08
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 39373158
2-chloro-N-(3-propoxyphenyl)ethanesulfonamide
CID 107651359
4-ethylsulfonyl-1-(3-propoxyphenyl)butan-1-amine
CID 115865348
2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid
CID 63120963
N-[3-(2-aminoethoxy)phenyl]cyclopropanesulfonamide
CID 64554905
N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide
CID 82984960
N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369656
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
CID 64593310
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954

Frequently Asked Questions

What is the IUPAC name of N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide?
The IUPAC name of N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide (CID 175293651) is N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide.
What is the SMILES notation for N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide?
The canonical SMILES for N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide is CCC(CCCS(=O)(=O)Nc1cccc(OCCN)c1)c1cccc(OCCN)c1.
What is the InChIKey of N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide?
The InChIKey is CLNHAJWSJFDFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-2-18(19-6-3-9-21(16-19)28-13-11-23)7-5-15-30(26,27)25-20-8-4-10-22(17-20)29-14-12-24/h3-4,6,8-10,16-18,25H,2,5,7,11-15,23-24H2,1H3.
What are the key properties of N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide?
N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide has a molecular weight of 435.59 g/mol, XLogP of 3.08, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide is sourced from PubChem (CID 175293651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).