2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide

C10H15N3O6S — CID 62147107

IUPAC2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide
SMILESNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C10H15N3O6S/c11-9-7-8(13(16)17)1-2-10(9)20(18,19)12(3-5-14)4-6-15/h1-2,7,14-15H,3-6,11H2
InChIKeyOIDJYZWZMMKXFX-UHFFFAOYSA-N
MW305.31 g/mol
LogP-0.85
Rot. Bonds7

About 2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide

2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide (PubChem CID 62147107) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide
PubChem CID62147107
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC Name2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide
SMILESNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C10H15N3O6S/c11-9-7-8(13(16)17)1-2-10(9)20(18,19)12(3-5-14)4-6-15/h1-2,7,14-15H,3-6,11H2
InChIKeyOIDJYZWZMMKXFX-UHFFFAOYSA-N
XLogP-0.85
TPSA147.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61138879
N-(2,2-difluoroethyl)-2-fluoro-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
CID 107483565
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzenesulfonamide
CID 61045394
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide
CID 54878677
4-amino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide
CID 61447205
2-amino-N-methyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
CID 62143776
4-chloro-N-[2-(2,4-dinitroanilino)ethyl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 4022644
4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139448
ethyl 2-[(2-amino-5-nitrophenyl)sulfonyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 91730126
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 104626174
N-chloro-N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide
CID 88612890
2-[2-amino-4-nitro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478310

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide (CID 62147107) is 2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide is Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCO)CCO.
What is the InChIKey of 2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
The InChIKey is OIDJYZWZMMKXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6S/c11-9-7-8(13(16)17)1-2-10(9)20(18,19)12(3-5-14)4-6-15/h1-2,7,14-15H,3-6,11H2.
What are the key properties of 2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide?
2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide has a molecular weight of 305.31 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(2-hydroxyethyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62147107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).