N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide

C18H23N5O2S — CID 23541008

IUPACN-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnnc1-c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23N5O2S/c1-23-17(19-21-22-23)15-2-4-16(5-3-15)26(24,25)20-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14,20H,6-11H2,1H3
InChIKeyCTWBNZDEGWIDRN-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.12
Rot. Bonds4

About N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide

N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide (PubChem CID 23541008) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide
PubChem CID23541008
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnnc1-c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23N5O2S/c1-23-17(19-21-22-23)15-2-4-16(5-3-15)26(24,25)20-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14,20H,6-11H2,1H3
InChIKeyCTWBNZDEGWIDRN-UHFFFAOYSA-N
XLogP2.12
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide (CID 23541008) is N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide is Cn1nnnc1-c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is CTWBNZDEGWIDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-23-17(19-21-22-23)15-2-4-16(5-3-15)26(24,25)20-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14,20H,6-11H2,1H3.
What are the key properties of N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide?
N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(1-methyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 23541008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).