N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide

C24H35N3O3S — CID 59826267

IUPACN-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide
SMILESCCN(CC)CCOc1ccc(NS(=O)(=O)c2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C24H35N3O3S/c1-3-26(4-2)17-18-30-23-13-11-22(12-14-23)25-31(28,29)24-10-8-9-21(19-24)20-27-15-6-5-7-16-27/h8-14,19,25H,3-7,15-18,20H2,1-2H3
InChIKeyDYCXHOGBUYFJJW-UHFFFAOYSA-N
MW445.63 g/mol
LogP4.19
Rot. Bonds11

About N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide

N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide (PubChem CID 59826267) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide
PubChem CID59826267
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC NameN-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide
SMILESCCN(CC)CCOc1ccc(NS(=O)(=O)c2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C24H35N3O3S/c1-3-26(4-2)17-18-30-23-13-11-22(12-14-23)25-31(28,29)24-10-8-9-21(19-24)20-27-15-6-5-7-16-27/h8-14,19,25H,3-7,15-18,20H2,1-2H3
InChIKeyDYCXHOGBUYFJJW-UHFFFAOYSA-N
XLogP4.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]benzenesulfonamide
CID 59826213
5-bromo-2-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-[3-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 25017650
4-[2-(diethylamino)ethoxy]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylaniline;ethane
CID 145471477
4-[2-(diethylamino)ethoxy]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylaniline
CID 145471478
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-formylbenzenesulfonamide
CID 59826254
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
N-benzyl-3-(diethylaminomethyl)-N-methylbenzenesulfonamide;N-benzyl-N-methyl-3-[(2-morpholin-4-ylethylamino)methyl]benzenesulfonamide;N-benzyl-N-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide;N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(4-methylpiperazin-1-yl)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]benzenesulfonamide
CID 159648316
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938
3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420
3-(benzenesulfonamido)-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]benzamide
CID 70512568
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274374
4-[2-(diethylamino)ethoxy]-N-[4-(piperazin-1-ylmethyl)phenyl]sulfanylaniline
CID 145471234

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide (CID 59826267) is N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide is CCN(CC)CCOc1ccc(NS(=O)(=O)c2cccc(CN3CCCCC3)c2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide?
The InChIKey is DYCXHOGBUYFJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3S/c1-3-26(4-2)17-18-30-23-13-11-22(12-14-23)25-31(28,29)24-10-8-9-21(19-24)20-27-15-6-5-7-16-27/h8-14,19,25H,3-7,15-18,20H2,1-2H3.
What are the key properties of N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide?
N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide has a molecular weight of 445.63 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 59826267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).