2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate

C10H14FN3O4S — CID 83202378

IUPAC2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NCCOC(N)=O
InChIInChI=1S/C10H14FN3O4S/c1-6-8(11)4-7(12)5-9(6)19(16,17)14-2-3-18-10(13)15/h4-5,14H,2-3,12H2,1H3,(H2,13,15)
InChIKeyUXICKDFRPSBZMF-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.09
Rot. Bonds5

About 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate

2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate (PubChem CID 83202378) has the molecular formula C10H14FN3O4S and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate
PubChem CID83202378
Molecular FormulaC10H14FN3O4S
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NCCOC(N)=O
InChIInChI=1S/C10H14FN3O4S/c1-6-8(11)4-7(12)5-9(6)19(16,17)14-2-3-18-10(13)15/h4-5,14H,2-3,12H2,1H3,(H2,13,15)
InChIKeyUXICKDFRPSBZMF-UHFFFAOYSA-N
XLogP0.09
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.09
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

4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanamide
CID 79897336
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202296
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105
ethyl 4-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]butanoate
CID 79901838
5-amino-3-fluoro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106242638
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274893
5-amino-N-but-3-ynyl-3-fluoro-2-methylbenzenesulfonamide
CID 79896670
5-amino-N-[3-(dimethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79896277
2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83201880
5-amino-3-fluoro-2-methyl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515228
5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79898608
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate (CID 83202378) is 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate is Cc1c(F)cc(N)cc1S(=O)(=O)NCCOC(N)=O.
What is the InChIKey of 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate?
The InChIKey is UXICKDFRPSBZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O4S/c1-6-8(11)4-7(12)5-9(6)19(16,17)14-2-3-18-10(13)15/h4-5,14H,2-3,12H2,1H3,(H2,13,15).
What are the key properties of 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate?
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate has a molecular weight of 291.30 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83202378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).