N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide

C15H14N4O7S — CID 55704286

IUPACN-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCONS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N4O7S/c1-26-18-27(24,25)13-7-5-10(6-8-13)14(20)16-17-15(21)11-3-2-4-12(9-11)19(22)23/h2-9,18H,1H3,(H,16,20)(H,17,21)
InChIKeyIUKLNEMCDDMHQB-UHFFFAOYSA-N
MW394.37 g/mol
LogP0.51
Rot. Bonds6

About N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide

N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 55704286) has the molecular formula C15H14N4O7S and a molecular weight of 394.37 g/mol. Its IUPAC name is N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID55704286
Molecular FormulaC15H14N4O7S
Molecular Weight394.37 g/mol
Exact Mass394.06
IUPAC NameN-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCONS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14N4O7S/c1-26-18-27(24,25)13-7-5-10(6-8-13)14(20)16-17-15(21)11-3-2-4-12(9-11)19(22)23/h2-9,18H,1H3,(H,16,20)(H,17,21)
InChIKeyIUKLNEMCDDMHQB-UHFFFAOYSA-N
XLogP0.51
TPSA156.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide 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

N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 35125317
N-(4-methoxyphenyl)sulfonyl-3-nitrobenzamide
CID 22007146
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 27663032
3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide
CID 4654337
N-methoxy-4-nitrobenzenesulfonamide
CID 56777248
N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide
CID 3445302
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 27605649
[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 26534154
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide (CID 55704286) is N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide is CONS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is IUKLNEMCDDMHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O7S/c1-26-18-27(24,25)13-7-5-10(6-8-13)14(20)16-17-15(21)11-3-2-4-12(9-11)19(22)23/h2-9,18H,1H3,(H,16,20)(H,17,21).
What are the key properties of N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide?
N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 394.37 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 55704286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).