2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide

C16H18N2O2S — CID 43576284

IUPAC2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C16H18N2O2S/c17-15-8-4-5-9-16(15)21(19,20)18(14-10-11-14)12-13-6-2-1-3-7-13/h1-9,14H,10-12,17H2
InChIKeyCZNHSFDBWREQGK-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.62
Rot. Bonds5

About 2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide

2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide (PubChem CID 43576284) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide
PubChem CID43576284
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C16H18N2O2S/c17-15-8-4-5-9-16(15)21(19,20)18(14-10-11-14)12-13-6-2-1-3-7-13/h1-9,14H,10-12,17H2
InChIKeyCZNHSFDBWREQGK-UHFFFAOYSA-N
XLogP2.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 31820934
5-amino-N-benzyl-N-cyclopropyl-3-methylimidazole-4-sulfonamide
CID 63979084
N-benzyl-5-bromo-4-chloro-N-cyclopropylthiophene-2-sulfonamide
CID 80578200
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 24663515
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 65428570
2-amino-5-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61112354
3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid
CID 43578537
2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 17491309
2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433555
2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433464
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide (CID 43576284) is 2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide is Nc1ccccc1S(=O)(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide?
The InChIKey is CZNHSFDBWREQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-15-8-4-5-9-16(15)21(19,20)18(14-10-11-14)12-13-6-2-1-3-7-13/h1-9,14H,10-12,17H2.
What are the key properties of 2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide?
2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 43576284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).