[4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate

C15H17N3O7S2 — CID 23508559

IUPAC[4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate
SMILESCCN(C(=O)c1ccc(OS(N)(=O)=O)cc1)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C15H17N3O7S2/c1-2-18(12-5-9-14(10-6-12)25-27(17,22)23)15(19)11-3-7-13(8-4-11)24-26(16,20)21/h3-10H,2H2,1H3,(H2,16,20,21)(H2,17,22,23)
InChIKeyCXRGHHALZAWBCO-UHFFFAOYSA-N
MW415.45 g/mol
LogP0.52
Rot. Bonds7

About [4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate

[4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate (PubChem CID 23508559) has the molecular formula C15H17N3O7S2 and a molecular weight of 415.45 g/mol. Its IUPAC name is [4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate
PubChem CID23508559
Molecular FormulaC15H17N3O7S2
Molecular Weight415.45 g/mol
Exact Mass415.05
IUPAC Name[4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate
SMILESCCN(C(=O)c1ccc(OS(N)(=O)=O)cc1)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C15H17N3O7S2/c1-2-18(12-5-9-14(10-6-12)25-27(17,22)23)15(19)11-3-7-13(8-4-11)24-26(16,20)21/h3-10H,2H2,1H3,(H2,16,20,21)(H2,17,22,23)
InChIKeyCXRGHHALZAWBCO-UHFFFAOYSA-N
XLogP0.52
TPSA159.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate 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

[4-[(E)-4-(4-sulfamoyloxyphenyl)hex-3-en-3-yl]phenyl] sulfamate
CID 11384786
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
N-ethyl-4-(2-phenoxyethoxy)-N-phenylbenzamide
CID 4952665
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
4-(difluoromethoxy)-N-ethyl-N-phenylbenzamide
CID 78793978
N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
CID 4956291
N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide
CID 43333185
N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide
CID 103957153
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide
CID 104627675
2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide
CID 166404882
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-4-methoxybenzamide
CID 60717695

Frequently Asked Questions

What is the IUPAC name of [4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate?
The IUPAC name of [4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate (CID 23508559) is [4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate.
What is the SMILES notation for [4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate?
The canonical SMILES for [4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate is CCN(C(=O)c1ccc(OS(N)(=O)=O)cc1)c1ccc(OS(N)(=O)=O)cc1.
What is the InChIKey of [4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate?
The InChIKey is CXRGHHALZAWBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O7S2/c1-2-18(12-5-9-14(10-6-12)25-27(17,22)23)15(19)11-3-7-13(8-4-11)24-26(16,20)21/h3-10H,2H2,1H3,(H2,16,20,21)(H2,17,22,23).
What are the key properties of [4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate?
[4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate has a molecular weight of 415.45 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ethyl-(4-sulfamoyloxybenzoyl)amino]phenyl] sulfamate is sourced from PubChem (CID 23508559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).