2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide

C10H16FN3O4S2 — CID 106333204

IUPAC2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C10H16FN3O4S2/c1-19(15,16)13-5-2-6-14-20(17,18)10-7-8(11)3-4-9(10)12/h3-4,7,13-14H,2,5-6,12H2,1H3
InChIKeyHVWVVYBUHQLIHX-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.37
Rot. Bonds7

About 2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide

2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (PubChem CID 106333204) has the molecular formula C10H16FN3O4S2 and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
PubChem CID106333204
Molecular FormulaC10H16FN3O4S2
Molecular Weight325.39 g/mol
Exact Mass325.06
IUPAC Name2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C10H16FN3O4S2/c1-19(15,16)13-5-2-6-14-20(17,18)10-7-8(11)3-4-9(10)12/h3-4,7,13-14H,2,5-6,12H2,1H3
InChIKeyHVWVVYBUHQLIHX-UHFFFAOYSA-N
XLogP-0.37
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide
CID 106333751
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461
2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide
CID 61171428
2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914
2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333180
tert-butyl N-[2-[(2-amino-5-fluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932760
2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide
CID 61113825
4-amino-3-bromo-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333201
5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333254
2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 61474979
2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 113483973
2-amino-5-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60986198

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (CID 106333204) is 2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is CS(=O)(=O)NCCCNS(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The InChIKey is HVWVVYBUHQLIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O4S2/c1-19(15,16)13-5-2-6-14-20(17,18)10-7-8(11)3-4-9(10)12/h3-4,7,13-14H,2,5-6,12H2,1H3.
What are the key properties of 2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is sourced from PubChem (CID 106333204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).