4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide

C12H18N2O3S — CID 43533120

IUPAC4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C12H18N2O3S/c1-8(9-3-4-9)14-18(15,16)12-6-5-10(13)7-11(12)17-2/h5-9,14H,3-4,13H2,1-2H3
InChIKeySNFWCNBGBMXMST-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.35
Rot. Bonds5

About 4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide

4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide (PubChem CID 43533120) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
PubChem CID43533120
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C12H18N2O3S/c1-8(9-3-4-9)14-18(15,16)12-6-5-10(13)7-11(12)17-2/h5-9,14H,3-4,13H2,1-2H3
InChIKeySNFWCNBGBMXMST-UHFFFAOYSA-N
XLogP1.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 81413597
5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide
CID 43662995
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 63294130
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191
4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65050020
4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466272
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
CID 61476398
4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide
CID 81440565

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide (CID 43533120) is 4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NC(C)C1CC1.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide?
The InChIKey is SNFWCNBGBMXMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(9-3-4-9)14-18(15,16)12-6-5-10(13)7-11(12)17-2/h5-9,14H,3-4,13H2,1-2H3.
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide?
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43533120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).