3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide

C14H21FN2O3S — CID 114625279

IUPAC3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1cc(N)c(OC)c(F)c1
InChIInChI=1S/C14H21FN2O3S/c1-3-4-7-17(10-5-6-10)21(18,19)11-8-12(15)14(20-2)13(16)9-11/h8-10H,3-7,16H2,1-2H3
InChIKeyLPEALHDKWRIYJU-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.37
Rot. Bonds7

About 3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide

3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide (PubChem CID 114625279) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide
PubChem CID114625279
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1cc(N)c(OC)c(F)c1
InChIInChI=1S/C14H21FN2O3S/c1-3-4-7-17(10-5-6-10)21(18,19)11-8-12(15)14(20-2)13(16)9-11/h8-10H,3-7,16H2,1-2H3
InChIKeyLPEALHDKWRIYJU-UHFFFAOYSA-N
XLogP2.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.37
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-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114625777
3-amino-N-butyl-5-chloro-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61113158
3-amino-N-butyl-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61112985
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63288985
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluoro-5-methylbenzenesulfonamide
CID 81427943
3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61109405
3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 107343278
N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63239480
3-amino-N-ethyl-5-fluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 114626004

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide (CID 114625279) is 3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide is CCCCN(C1CC1)S(=O)(=O)c1cc(N)c(OC)c(F)c1.
What is the InChIKey of 3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is LPEALHDKWRIYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-3-4-7-17(10-5-6-10)21(18,19)11-8-12(15)14(20-2)13(16)9-11/h8-10H,3-7,16H2,1-2H3.
What are the key properties of 3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide?
3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-cyclopropyl-5-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 114625279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).