[3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide

C13H14ClN3O2S — CID 176707049

IUPAC[3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide
SMILESNc1ccc(Cl)cc1Nc1cccc(CS(N)(=O)=O)c1
InChIInChI=1S/C13H14ClN3O2S/c14-10-4-5-12(15)13(7-10)17-11-3-1-2-9(6-11)8-20(16,18)19/h1-7,17H,8,15H2,(H2,16,18,19)
InChIKeyFRTNLNSFAWJHJO-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.45
Rot. Bonds4

About [3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide

[3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide (PubChem CID 176707049) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is [3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide
PubChem CID176707049
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name[3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide
SMILESNc1ccc(Cl)cc1Nc1cccc(CS(N)(=O)=O)c1
InChIInChI=1S/C13H14ClN3O2S/c14-10-4-5-12(15)13(7-10)17-11-3-1-2-9(6-11)8-20(16,18)19/h1-7,17H,8,15H2,(H2,16,18,19)
InChIKeyFRTNLNSFAWJHJO-UHFFFAOYSA-N
XLogP2.45
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
[3-(methylamino)phenyl]methanesulfonamide
CID 71121973
4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127653
4-amino-3-(3-chloroanilino)benzoic acid
CID 82785514
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
N-(2-amino-5-chlorophenyl)ethanesulfonamide
CID 16775889
4-chloro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 113315750
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxyaniline
CID 117027311
4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
CID 115468565
5-ethyl-N-[3-(sulfamoylmethyl)phenyl]furan-2-carboxamide
CID 60610670
4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide
CID 19023266
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide?
The IUPAC name of [3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide (CID 176707049) is [3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide.
What is the SMILES notation for [3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide?
The canonical SMILES for [3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide is Nc1ccc(Cl)cc1Nc1cccc(CS(N)(=O)=O)c1.
What is the InChIKey of [3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide?
The InChIKey is FRTNLNSFAWJHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-10-4-5-12(15)13(7-10)17-11-3-1-2-9(6-11)8-20(16,18)19/h1-7,17H,8,15H2,(H2,16,18,19).
What are the key properties of [3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide?
[3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide is sourced from PubChem (CID 176707049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).