N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide

C12H18N6O2S — CID 146091410

IUPACN-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnnc1-c1cccc(S(=O)(=O)NCC(C)(C)N)c1
InChIInChI=1S/C12H18N6O2S/c1-12(2,13)8-14-21(19,20)10-6-4-5-9(7-10)11-15-16-17-18(11)3/h4-7,14H,8,13H2,1-3H3
InChIKeyNBEJAIIHTKXHCT-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.11
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide

N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide (PubChem CID 146091410) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide
PubChem CID146091410
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC NameN-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnnc1-c1cccc(S(=O)(=O)NCC(C)(C)N)c1
InChIInChI=1S/C12H18N6O2S/c1-12(2,13)8-14-21(19,20)10-6-4-5-9(7-10)11-15-16-17-18(11)3/h4-7,14H,8,13H2,1-3H3
InChIKeyNBEJAIIHTKXHCT-UHFFFAOYSA-N
XLogP-0.11
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide (CID 146091410) is N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide is Cn1nnnc1-c1cccc(S(=O)(=O)NCC(C)(C)N)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is NBEJAIIHTKXHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-12(2,13)8-14-21(19,20)10-6-4-5-9(7-10)11-15-16-17-18(11)3/h4-7,14H,8,13H2,1-3H3.
What are the key properties of N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide?
N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(1-methyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 146091410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).