1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide

C15H18N2O3S — CID 61111599

IUPAC1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)N(Cc2ccco2)C2CC2)cc1
InChIInChI=1S/C15H18N2O3S/c16-13-5-3-12(4-6-13)11-21(18,19)17(14-7-8-14)10-15-2-1-9-20-15/h1-6,9,14H,7-8,10-11,16H2
InChIKeyLCDSXXCCAQZLNQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.36
Rot. Bonds6

About 1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide

1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide (PubChem CID 61111599) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide
PubChem CID61111599
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)N(Cc2ccco2)C2CC2)cc1
InChIInChI=1S/C15H18N2O3S/c16-13-5-3-12(4-6-13)11-21(18,19)17(14-7-8-14)10-15-2-1-9-20-15/h1-6,9,14H,7-8,10-11,16H2
InChIKeyLCDSXXCCAQZLNQ-UHFFFAOYSA-N
XLogP2.36
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 65428570
3-amino-4-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 115328878
2-amino-5-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61112354
1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61138289
1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 43397003
2-(5-amino-2-oxo-1-pyridinyl)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 62815479
5,6-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 64608208
N-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60729636
4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide
CID 82900371
5-amino-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 81317098
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide (CID 61111599) is 1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide is Nc1ccc(CS(=O)(=O)N(Cc2ccco2)C2CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide?
The InChIKey is LCDSXXCCAQZLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c16-13-5-3-12(4-6-13)11-21(18,19)17(14-7-8-14)10-15-2-1-9-20-15/h1-6,9,14H,7-8,10-11,16H2.
What are the key properties of 1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide?
1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 61111599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).