4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

C11H11Cl2N3O2S2 — CID 167814406

IUPAC4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)s1
InChIInChI=1S/C11H11Cl2N3O2S2/c1-6-4-15-10(19-6)5-16-20(17,18)7-2-8(12)11(14)9(13)3-7/h2-4,16H,5,14H2,1H3
InChIKeyWQFZCTKJGZQNNP-UHFFFAOYSA-N
MW352.27 g/mol
LogP2.82
Rot. Bonds4

About 4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 167814406) has the molecular formula C11H11Cl2N3O2S2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID167814406
Molecular FormulaC11H11Cl2N3O2S2
Molecular Weight352.27 g/mol
Exact Mass350.97
IUPAC Name4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)s1
InChIInChI=1S/C11H11Cl2N3O2S2/c1-6-4-15-10(19-6)5-16-20(17,18)7-2-8(12)11(14)9(13)3-7/h2-4,16H,5,14H2,1H3
InChIKeyWQFZCTKJGZQNNP-UHFFFAOYSA-N
XLogP2.82
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide 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-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 104868457
4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739007
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110739068
3-bromo-4-methoxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 103697865
4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739054
1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110739043
1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110739044
6-amino-5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601874
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
CID 110739056
2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739071
1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 99605996
6-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64601679

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 167814406) is 4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)s1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is WQFZCTKJGZQNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2S2/c1-6-4-15-10(19-6)5-16-20(17,18)7-2-8(12)11(14)9(13)3-7/h2-4,16H,5,14H2,1H3.
What are the key properties of 4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 352.27 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 167814406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).