3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide

C14H19FN2O3S — CID 114625777

IUPAC3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1c(N)cc(S(=O)(=O)N(CC2CC2)C2CC2)cc1F
InChIInChI=1S/C14H19FN2O3S/c1-20-14-12(15)6-11(7-13(14)16)21(18,19)17(10-4-5-10)8-9-2-3-9/h6-7,9-10H,2-5,8,16H2,1H3
InChIKeyYYXDTVBGWSODBX-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.98
Rot. Bonds6

About 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide

3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide (PubChem CID 114625777) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide
PubChem CID114625777
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1c(N)cc(S(=O)(=O)N(CC2CC2)C2CC2)cc1F
InChIInChI=1S/C14H19FN2O3S/c1-20-14-12(15)6-11(7-13(14)16)21(18,19)17(10-4-5-10)8-9-2-3-9/h6-7,9-10H,2-5,8,16H2,1H3
InChIKeyYYXDTVBGWSODBX-UHFFFAOYSA-N
XLogP1.98
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopropyl-5-fluoro-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 114625181
3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide
CID 114625279
3-amino-5-fluoro-4-methoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 114625435
3-amino-5-fluoro-4-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114626217
N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697628
3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61109405
3-amino-5-fluoro-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 114625311
3-amino-N-ethyl-5-fluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 114626004
2-amino-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-sulfonamide
CID 64522432
4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82844706
N-cyclopropyl-N-(cyclopropylmethyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64523018
5-[cyclopropyl(cyclopropylmethyl)sulfamoyl]-2-fluorobenzenecarbothioamide
CID 64521555

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide (CID 114625777) is 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide is COc1c(N)cc(S(=O)(=O)N(CC2CC2)C2CC2)cc1F.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is YYXDTVBGWSODBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-20-14-12(15)6-11(7-13(14)16)21(18,19)17(10-4-5-10)8-9-2-3-9/h6-7,9-10H,2-5,8,16H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide?
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 314.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 114625777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).