2-[(3-aminophenyl)sulfonylamino]ethyl carbamate

C9H13N3O4S — CID 83202632

IUPAC2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
SMILESNC(=O)OCCNS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C9H13N3O4S/c10-7-2-1-3-8(6-7)17(14,15)12-4-5-16-9(11)13/h1-3,6,12H,4-5,10H2,(H2,11,13)
InChIKeyHAPLCCSNTJOTML-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.36
Rot. Bonds5

About 2-[(3-aminophenyl)sulfonylamino]ethyl carbamate

2-[(3-aminophenyl)sulfonylamino]ethyl carbamate (PubChem CID 83202632) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-[(3-aminophenyl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
PubChem CID83202632
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
SMILESNC(=O)OCCNS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C9H13N3O4S/c10-7-2-1-3-8(6-7)17(14,15)12-4-5-16-9(11)13/h1-3,6,12H,4-5,10H2,(H2,11,13)
InChIKeyHAPLCCSNTJOTML-UHFFFAOYSA-N
XLogP-0.36
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.36
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-[(3-bromophenyl)sulfonylamino]ethyl carbamate
CID 83204442
2-[(3-aminophenyl)sulfonylamino]ethylurea
CID 83116064
3-(2-carbamoyloxyethylsulfamoyl)benzoic acid
CID 83202394
2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83201880
methyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 43665916
5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
CID 83202818
tert-butyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 70153486
4-[(3-aminophenyl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 122126369
3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63983724
2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate
CID 83203795
2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83202803
3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113498451

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(3-aminophenyl)sulfonylamino]ethyl carbamate (CID 83202632) is 2-[(3-aminophenyl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(3-aminophenyl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(3-aminophenyl)sulfonylamino]ethyl carbamate is NC(=O)OCCNS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)sulfonylamino]ethyl carbamate?
The InChIKey is HAPLCCSNTJOTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c10-7-2-1-3-8(6-7)17(14,15)12-4-5-16-9(11)13/h1-3,6,12H,4-5,10H2,(H2,11,13).
What are the key properties of 2-[(3-aminophenyl)sulfonylamino]ethyl carbamate?
2-[(3-aminophenyl)sulfonylamino]ethyl carbamate has a molecular weight of 259.29 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83202632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).