2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate

C10H14FN3O4S — CID 83202296

IUPAC2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate
SMILESCc1cc(F)c(S(=O)(=O)NCCOC(N)=O)cc1N
InChIInChI=1S/C10H14FN3O4S/c1-6-4-7(11)9(5-8(6)12)19(16,17)14-2-3-18-10(13)15/h4-5,14H,2-3,12H2,1H3,(H2,13,15)
InChIKeyWTDLVHSFDCVLIR-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.09
Rot. Bonds5

About 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate

2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate (PubChem CID 83202296) has the molecular formula C10H14FN3O4S and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate
PubChem CID83202296
Molecular FormulaC10H14FN3O4S
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate
SMILESCc1cc(F)c(S(=O)(=O)NCCOC(N)=O)cc1N
InChIInChI=1S/C10H14FN3O4S/c1-6-4-7(11)9(5-8(6)12)19(16,17)14-2-3-18-10(13)15/h4-5,14H,2-3,12H2,1H3,(H2,13,15)
InChIKeyWTDLVHSFDCVLIR-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

2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202378
2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83202803
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
5-amino-2-fluoro-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180759
5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide
CID 66168567
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
CID 83203648
2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83201880
5-amino-2-fluoro-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413667
5-amino-4-bromo-2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464970
2-[[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]sulfonylamino]ethyl carbamate
CID 83206040
5-amino-2-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034297
5-amino-4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116529842

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate (CID 83202296) is 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate is Cc1cc(F)c(S(=O)(=O)NCCOC(N)=O)cc1N.
What is the InChIKey of 2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate?
The InChIKey is WTDLVHSFDCVLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O4S/c1-6-4-7(11)9(5-8(6)12)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-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate?
2-[(5-amino-2-fluoro-4-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-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83202296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).