N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide

C13H21N3O2S — CID 55000451

IUPACN-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CC1)S(=O)(=O)c1ccccc1NN
InChIInChI=1S/C13H21N3O2S/c1-10(2)16(9-11-7-8-11)19(17,18)13-6-4-3-5-12(13)15-14/h3-6,10-11,15H,7-9,14H2,1-2H3
InChIKeyXLYGNJARUXHKGZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.78
Rot. Bonds6

About N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide

N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 55000451) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide
PubChem CID55000451
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CC1)S(=O)(=O)c1ccccc1NN
InChIInChI=1S/C13H21N3O2S/c1-10(2)16(9-11-7-8-11)19(17,18)13-6-4-3-5-12(13)15-14/h3-6,10-11,15H,7-9,14H2,1-2H3
InChIKeyXLYGNJARUXHKGZ-UHFFFAOYSA-N
XLogP1.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide (CID 55000451) is N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(CC1CC1)S(=O)(=O)c1ccccc1NN.
What is the InChIKey of N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is XLYGNJARUXHKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10(2)16(9-11-7-8-11)19(17,18)13-6-4-3-5-12(13)15-14/h3-6,10-11,15H,7-9,14H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide?
N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 55000451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).