3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide

C14H16ClN3O2S — CID 106759376

IUPAC3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide
SMILESCN(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H16ClN3O2S/c1-18(2)14-6-4-3-5-13(14)17-21(19,20)10-7-8-11(15)12(16)9-10/h3-9,17H,16H2,1-2H3
InChIKeyLOZJIWDAHARXMI-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.79
Rot. Bonds4

About 3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide

3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide (PubChem CID 106759376) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide
PubChem CID106759376
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide
SMILESCN(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H16ClN3O2S/c1-18(2)14-6-4-3-5-13(14)17-21(19,20)10-7-8-11(15)12(16)9-10/h3-9,17H,16H2,1-2H3
InChIKeyLOZJIWDAHARXMI-UHFFFAOYSA-N
XLogP2.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-phenylbenzenesulfonamide
CID 2873180
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 28992287
3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596352
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
5-amino-N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 106759348
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 113093841
4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714614

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide (CID 106759376) is 3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide is CN(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide?
The InChIKey is LOZJIWDAHARXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-18(2)14-6-4-3-5-13(14)17-21(19,20)10-7-8-11(15)12(16)9-10/h3-9,17H,16H2,1-2H3.
What are the key properties of 3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide?
3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 106759376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).