4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

C19H24N2O5S2 — CID 1289924

IUPAC4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-2-26-17-8-12-18(13-9-17)27(22,23)20-16-6-10-19(11-7-16)28(24,25)21-14-4-3-5-15-21/h6-13,20H,2-5,14-15H2,1H3
InChIKeyNQSVGJXSBNNJME-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.06
Rot. Bonds7

About 4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 1289924) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID1289924
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-2-26-17-8-12-18(13-9-17)27(22,23)20-16-6-10-19(11-7-16)28(24,25)21-14-4-3-5-15-21/h6-13,20H,2-5,14-15H2,1H3
InChIKeyNQSVGJXSBNNJME-UHFFFAOYSA-N
XLogP3.06
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dasa-58
CID 44543605
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
3-amino-N,N-diethyl-4-(propan-2-yloxy)benzene-1-sulfonamide
CID 3773327
5-(Morpholine-4-sulfonyl)-2-phenoxyaniline
CID 3809457
4-{[4-(4-Nitrophenoxy)phenyl]sulfonyl}morpholine
CID 1097192
4-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)phenyl methyl ether
CID 1473035
3-amino-4-ethoxy-N,N-diethylbenzene-1-sulfonamide
CID 3790387
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
N-[4-(diethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 841703
2-(4-Ethoxyphenoxy)-5-(morpholinosulfonyl)aniline
CID 3833553
4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
CID 788027
3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulphonamide
CID 1643

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 1289924) is 4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is NQSVGJXSBNNJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-2-26-17-8-12-18(13-9-17)27(22,23)20-16-6-10-19(11-7-16)28(24,25)21-14-4-3-5-15-21/h6-13,20H,2-5,14-15H2,1H3.
What are the key properties of 4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 424.54 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 1289924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).