4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide

C11H16N2O3S — CID 81438601

IUPAC4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC2CC2)ccc1N
InChIInChI=1S/C11H16N2O3S/c1-16-11-6-9(4-5-10(11)12)17(14,15)13-7-8-2-3-8/h4-6,8,13H,2-3,7,12H2,1H3
InChIKeyCRNBABCSOMYQET-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.97
Rot. Bonds5

About 4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide

4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide (PubChem CID 81438601) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
PubChem CID81438601
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC2CC2)ccc1N
InChIInChI=1S/C11H16N2O3S/c1-16-11-6-9(4-5-10(11)12)17(14,15)13-7-8-2-3-8/h4-6,8,13H,2-3,7,12H2,1H3
InChIKeyCRNBABCSOMYQET-UHFFFAOYSA-N
XLogP0.97
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.97
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-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 81438293
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzenesulfonamide
CID 81441291
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438751
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936
3-amino-4-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60857223
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246
4-amino-N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 81438222
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxybenzenesulfonamide
CID 115454056

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide (CID 81438601) is 4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NCC2CC2)ccc1N.
What is the InChIKey of 4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide?
The InChIKey is CRNBABCSOMYQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-16-11-6-9(4-5-10(11)12)17(14,15)13-7-8-2-3-8/h4-6,8,13H,2-3,7,12H2,1H3.
What are the key properties of 4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide?
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81438601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).