N-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide

C17H21N5O2S — CID 23541006

IUPACN-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H21N5O2S/c23-25(24,15-3-1-14(2-4-15)16-18-21-22-19-16)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,20H,5-10H2,(H,18,19,21,22)
InChIKeyFAHSJPWNNLAKNT-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.11
Rot. Bonds4

About N-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide

N-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 23541006) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID23541006
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H21N5O2S/c23-25(24,15-3-1-14(2-4-15)16-18-21-22-19-16)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,20H,5-10H2,(H,18,19,21,22)
InChIKeyFAHSJPWNNLAKNT-UHFFFAOYSA-N
XLogP2.11
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide (CID 23541006) is N-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide is O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is FAHSJPWNNLAKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c23-25(24,15-3-1-14(2-4-15)16-18-21-22-19-16)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,20H,5-10H2,(H,18,19,21,22).
What are the key properties of N-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
N-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 359.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 23541006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).