N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine

C8H11ClN4O4S — CID 84761026

IUPACN'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine
SMILESNCCNS(=O)(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H11ClN4O4S/c9-6-1-2-7(8(5-6)13(14)15)12-18(16,17)11-4-3-10/h1-2,5,11-12H,3-4,10H2
InChIKeyUKXQMDVIDHFINY-UHFFFAOYSA-N
MW294.72 g/mol
LogP0.45
Rot. Bonds6

About N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine

N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine (PubChem CID 84761026) has the molecular formula C8H11ClN4O4S and a molecular weight of 294.72 g/mol. Its IUPAC name is N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine
PubChem CID84761026
Molecular FormulaC8H11ClN4O4S
Molecular Weight294.72 g/mol
Exact Mass294.02
IUPAC NameN'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine
SMILESNCCNS(=O)(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H11ClN4O4S/c9-6-1-2-7(8(5-6)13(14)15)12-18(16,17)11-4-3-10/h1-2,5,11-12H,3-4,10H2
InChIKeyUKXQMDVIDHFINY-UHFFFAOYSA-N
XLogP0.45
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-nitrophenyl)ethanesulfonamide
CID 60642818
N-(3-aminopropyl)-4-chloro-2-nitrobenzenesulfonamide
CID 28542730
N-(4-chloro-2-nitrophenyl)-2-ethyl-4-sulfanylbenzenesulfonamide
CID 151689979
2-(4-chloro-2-nitroanilino)-N-methylethanesulfonamide
CID 103081288
3-(4-chloro-2-nitroanilino)-2,3-dimethylbutan-2-ol
CID 106185290
N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide
CID 73447777
N-[3-(4-chloro-2-nitroanilino)propyl]-1-phenylmethanesulfonamide
CID 2883672
4-(2-aminoethylamino)-3-nitrobenzenesulfonamide;hydrochloride
CID 155669962
2-(4-chloro-2-nitroanilino)-2-methylpropan-1-ol
CID 2829608
4-chloro-N-(2-methoxyethyl)-2-nitroaniline
CID 28542742
4-chloro-N-(3-methylsulfinylpropyl)-2-nitroaniline;ethane
CID 144946226
N-[(4-aminophenyl)methyl]-4-chloro-2-nitroaniline
CID 116650441

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine?
The IUPAC name of N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine (CID 84761026) is N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine is NCCNS(=O)(=O)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine?
The InChIKey is UKXQMDVIDHFINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O4S/c9-6-1-2-7(8(5-6)13(14)15)12-18(16,17)11-4-3-10/h1-2,5,11-12H,3-4,10H2.
What are the key properties of N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine?
N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine has a molecular weight of 294.72 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine is sourced from PubChem (CID 84761026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).