N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide

C20H26N2O5S2 — CID 21372462

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1
InChIInChI=1S/C20H26N2O5S2/c1-2-27-18-9-13-19(14-10-18)28(23,24)21-17-7-11-20(12-8-17)29(25,26)22-15-5-3-4-6-16-22/h7-14,21H,2-6,15-16H2,1H3
InChIKeyORNGBPGVPNFFRA-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.45
Rot. Bonds7

About N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide (PubChem CID 21372462) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
PubChem CID21372462
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1
InChIInChI=1S/C20H26N2O5S2/c1-2-27-18-9-13-19(14-10-18)28(23,24)21-17-7-11-20(12-8-17)29(25,26)22-15-5-3-4-6-16-22/h7-14,21H,2-6,15-16H2,1H3
InChIKeyORNGBPGVPNFFRA-UHFFFAOYSA-N
XLogP3.45
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875042
N-(4-ethoxyphenyl)azepane-1-sulfonamide
CID 2988232
4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
CID 9271299
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-butan-2-ylbenzenesulfonamide
CID 19684570
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 19684568
N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268213
4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 1274641
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide (CID 21372462) is N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide?
The InChIKey is ORNGBPGVPNFFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-2-27-18-9-13-19(14-10-18)28(23,24)21-17-7-11-20(12-8-17)29(25,26)22-15-5-3-4-6-16-22/h7-14,21H,2-6,15-16H2,1H3.
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide has a molecular weight of 438.57 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 21372462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).