5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide

C14H16ClN3O2S — CID 103286589

IUPAC5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2S/c1-17-21(19,20)14-8-12(16)6-7-13(14)18-9-10-2-4-11(15)5-3-10/h2-8,17-18H,9,16H2,1H3
InChIKeyQDUKYDZFZAHOIW-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.44
Rot. Bonds5

About 5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide

5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 103286589) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
PubChem CID103286589
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2S/c1-17-21(19,20)14-8-12(16)6-7-13(14)18-9-10-2-4-11(15)5-3-10/h2-8,17-18H,9,16H2,1H3
InChIKeyQDUKYDZFZAHOIW-UHFFFAOYSA-N
XLogP2.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.44
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

5-amino-2-[(4-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286616
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-2-(1H-imidazol-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 103287114
5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
CID 106894888
5-amino-N-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]benzenesulfonamide
CID 103287383
5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide
CID 103287233
5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide
CID 103287354
5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106369551
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide
CID 103286934
N-[(4-aminophenyl)methyl]-4-chloro-2-nitroaniline
CID 116650441

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide (CID 103286589) is 5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NCc1ccc(Cl)cc1.
What is the InChIKey of 5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is QDUKYDZFZAHOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-17-21(19,20)14-8-12(16)6-7-13(14)18-9-10-2-4-11(15)5-3-10/h2-8,17-18H,9,16H2,1H3.
What are the key properties of 5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide?
5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103286589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).