N-(1-adamantylmethyl)benzenesulfonamide

C17H23NO2S — CID 22206704

IUPACN-(1-adamantylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C17H23NO2S/c19-21(20,16-4-2-1-3-5-16)18-12-17-9-13-6-14(10-17)8-15(7-13)11-17/h1-5,13-15,18H,6-12H2
InChIKeyHZKLNWISWKRQKT-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.18
Rot. Bonds4

About N-(1-adamantylmethyl)benzenesulfonamide

N-(1-adamantylmethyl)benzenesulfonamide (PubChem CID 22206704) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-(1-adamantylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)benzenesulfonamide
PubChem CID22206704
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-(1-adamantylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C17H23NO2S/c19-21(20,16-4-2-1-3-5-16)18-12-17-9-13-6-14(10-17)8-15(7-13)11-17/h1-5,13-15,18H,6-12H2
InChIKeyHZKLNWISWKRQKT-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-adamantylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide
CID 19575240
4-(1-adamantylmethylsulfamoyl)benzamide
CID 86911830
N-(1-adamantylmethyl)-3-cyanobenzenesulfonamide
CID 7509882
N-(1-adamantylmethyl)-2-bromobenzenesulfonamide
CID 3687690
N-(1-adamantylmethyl)-5-chloronaphthalene-2-sulfonamide
CID 54571729
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
CID 24891141
1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine
CID 10217321
N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide
CID 40554657
N-(1-adamantylmethyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 7937592
2-(1-adamantylmethylsulfamoyl)acetic acid
CID 43173102
1-(1-adamantyl)-3-(benzenesulfonyl)thiourea
CID 20571166

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)benzenesulfonamide?
The IUPAC name of N-(1-adamantylmethyl)benzenesulfonamide (CID 22206704) is N-(1-adamantylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-adamantylmethyl)benzenesulfonamide?
The canonical SMILES for N-(1-adamantylmethyl)benzenesulfonamide is O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-(1-adamantylmethyl)benzenesulfonamide?
The InChIKey is HZKLNWISWKRQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c19-21(20,16-4-2-1-3-5-16)18-12-17-9-13-6-14(10-17)8-15(7-13)11-17/h1-5,13-15,18H,6-12H2.
What are the key properties of N-(1-adamantylmethyl)benzenesulfonamide?
N-(1-adamantylmethyl)benzenesulfonamide has a molecular weight of 305.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)benzenesulfonamide is sourced from PubChem (CID 22206704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).