[3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid

C14H15N3O4S — CID 66880835

IUPAC[3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid
SMILESNc1cccc(CS(=O)(=O)Nc2cccc(NC(=O)O)c2)c1
InChIInChI=1S/C14H15N3O4S/c15-11-4-1-3-10(7-11)9-22(20,21)17-13-6-2-5-12(8-13)16-14(18)19/h1-8,16-17H,9,15H2,(H,18,19)
InChIKeyMRIGKCZPWKHRPJ-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.30
Rot. Bonds5

About [3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid

[3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid (PubChem CID 66880835) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is [3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid.

Molecular Properties

Compound Name[3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid
PubChem CID66880835
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name[3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid
SMILESNc1cccc(CS(=O)(=O)Nc2cccc(NC(=O)O)c2)c1
InChIInChI=1S/C14H15N3O4S/c15-11-4-1-3-10(7-11)9-22(20,21)17-13-6-2-5-12(8-13)16-14(18)19/h1-8,16-17H,9,15H2,(H,18,19)
InChIKeyMRIGKCZPWKHRPJ-UHFFFAOYSA-N
XLogP2.30
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid 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

1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
CID 43255960
[3-[(3-aminophenyl)methoxymethyl]phenyl]carbamic acid
CID 66896866
1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
CID 43256226
1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66351875
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729
3-(benzylsulfonylamino)-N-phenylbenzamide
CID 166181432
ethyl 2-[(3-aminophenyl)methylsulfonylamino]acetate
CID 60812498
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
CID 43255711
2-methyl-2-[3-[(3-methylphenyl)methylsulfonylamino]phenyl]propanoic acid
CID 167927121
1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 43256402

Frequently Asked Questions

What is the IUPAC name of [3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid?
The IUPAC name of [3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid (CID 66880835) is [3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid.
What is the SMILES notation for [3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid?
The canonical SMILES for [3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid is Nc1cccc(CS(=O)(=O)Nc2cccc(NC(=O)O)c2)c1.
What is the InChIKey of [3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid?
The InChIKey is MRIGKCZPWKHRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c15-11-4-1-3-10(7-11)9-22(20,21)17-13-6-2-5-12(8-13)16-14(18)19/h1-8,16-17H,9,15H2,(H,18,19).
What are the key properties of [3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid?
[3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid has a molecular weight of 321.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid is sourced from PubChem (CID 66880835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).