N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide

C11H15N5O2S — CID 126829167

IUPACN-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2nnn(C)n2)cc1
InChIInChI=1S/C11H15N5O2S/c1-8(2)9-4-6-10(7-5-9)19(17,18)14-11-12-15-16(3)13-11/h4-8H,1-3H3,(H,13,14)
InChIKeyPUZGLLUIQHIMKN-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.13
Rot. Bonds4

About N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide

N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 126829167) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide
PubChem CID126829167
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2nnn(C)n2)cc1
InChIInChI=1S/C11H15N5O2S/c1-8(2)9-4-6-10(7-5-9)19(17,18)14-11-12-15-16(3)13-11/h4-8H,1-3H3,(H,13,14)
InChIKeyPUZGLLUIQHIMKN-UHFFFAOYSA-N
XLogP1.13
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide 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

4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide
CID 167789221
6-cyano-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide
CID 114613899
3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide
CID 82847860
N-(1-ethyl-3-methylpyrazol-4-yl)-4-propan-2-ylbenzenesulfonamide
CID 22209225
4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25073174
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide
CID 107652797
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 17466595
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22203047
N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113038394
N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 22771727

Frequently Asked Questions

What is the IUPAC name of N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide (CID 126829167) is N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2nnn(C)n2)cc1.
What is the InChIKey of N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is PUZGLLUIQHIMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-8(2)9-4-6-10(7-5-9)19(17,18)14-11-12-15-16(3)13-11/h4-8H,1-3H3,(H,13,14).
What are the key properties of N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide?
N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyltetrazol-5-yl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 126829167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).