3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide

C14H14Cl2N2O2S — CID 29297863

IUPAC3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-13(16)6-11(7-14(9)17)21(19,20)18-8-10-4-2-3-5-12(10)15/h2-7,18H,8,17H2,1H3
InChIKeyTWUPPAVMHJUCNF-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.36
Rot. Bonds4

About 3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide

3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 29297863) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID29297863
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-13(16)6-11(7-14(9)17)21(19,20)18-8-10-4-2-3-5-12(10)15/h2-7,18H,8,17H2,1H3
InChIKeyTWUPPAVMHJUCNF-UHFFFAOYSA-N
XLogP3.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide 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

3-amino-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 29269508
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43345878
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106058600
3-amino-5-chloro-4-methyl-N-pentylbenzenesulfonamide
CID 29030378
3-amino-5-chloro-N-[3-(methanesulfonamido)propyl]-4-methylbenzenesulfonamide
CID 106333250
3-amino-5-chloro-N-(1H-imidazol-2-ylmethyl)-4-methylbenzenesulfonamide
CID 64518020
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106058641

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide (CID 29297863) is 3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NCc2ccccc2Cl)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is TWUPPAVMHJUCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-9-13(16)6-11(7-14(9)17)21(19,20)18-8-10-4-2-3-5-12(10)15/h2-7,18H,8,17H2,1H3.
What are the key properties of 3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 29297863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).