N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide

C20H24N2O4S3 — CID 22202875

IUPACN-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H24N2O4S3/c23-28(24,22-20-11-14-8-15(12-20)10-16(9-14)13-20)18-5-3-17(4-6-18)21-29(25,26)19-2-1-7-27-19/h1-7,14-16,21-22H,8-13H2
InChIKeyWJGKLVFXKNFMFW-UHFFFAOYSA-N
MW452.62 g/mol
LogP3.80
Rot. Bonds6

About N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide

N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide (PubChem CID 22202875) has the molecular formula C20H24N2O4S3 and a molecular weight of 452.62 g/mol. Its IUPAC name is N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide
PubChem CID22202875
Molecular FormulaC20H24N2O4S3
Molecular Weight452.62 g/mol
Exact Mass452.09
IUPAC NameN-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H24N2O4S3/c23-28(24,22-20-11-14-8-15(12-20)10-16(9-14)13-20)18-5-3-17(4-6-18)21-29(25,26)19-2-1-7-27-19/h1-7,14-16,21-22H,8-13H2
InChIKeyWJGKLVFXKNFMFW-UHFFFAOYSA-N
XLogP3.80
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
N-[4-(1-adamantylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 22202889
N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1092315
N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 5064484
4-(1-adamantylsulfamoyl)benzoate
CID 7119512
N-[4-(cyclohexylamino)phenyl]thiophene-2-sulfonamide
CID 112980784
4-acetyl-N-(1-adamantyl)benzenesulfonamide
CID 7937979
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 42998818
N-(phenylsulfamoyl)adamantan-1-amine
CID 134204498
N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 69154834
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide (CID 22202875) is N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is WJGKLVFXKNFMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S3/c23-28(24,22-20-11-14-8-15(12-20)10-16(9-14)13-20)18-5-3-17(4-6-18)21-29(25,26)19-2-1-7-27-19/h1-7,14-16,21-22H,8-13H2.
What are the key properties of N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide?
N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 452.62 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22202875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).