N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide

C15H12ClN3O2S2 — CID 28861731

IUPACN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide
SMILESNc1cccc(-c2csc(NS(=O)(=O)c3ccccc3Cl)n2)c1
InChIInChI=1S/C15H12ClN3O2S2/c16-12-6-1-2-7-14(12)23(20,21)19-15-18-13(9-22-15)10-4-3-5-11(17)8-10/h1-9H,17H2,(H,18,19)
InChIKeySBDQEAHXHVMDDN-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.85
Rot. Bonds4

About N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide

N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide (PubChem CID 28861731) has the molecular formula C15H12ClN3O2S2 and a molecular weight of 365.87 g/mol. Its IUPAC name is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide
PubChem CID28861731
Molecular FormulaC15H12ClN3O2S2
Molecular Weight365.87 g/mol
Exact Mass365.01
IUPAC NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide
SMILESNc1cccc(-c2csc(NS(=O)(=O)c3ccccc3Cl)n2)c1
InChIInChI=1S/C15H12ClN3O2S2/c16-12-6-1-2-7-14(12)23(20,21)19-15-18-13(9-22-15)10-4-3-5-11(17)8-10/h1-9H,17H2,(H,18,19)
InChIKeySBDQEAHXHVMDDN-UHFFFAOYSA-N
XLogP3.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10761363
2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 7941095
[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea
CID 43551246
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
3-amino-N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 100974636
N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
CID 28970981
2-chloro-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)benzenesulfonamide
CID 112769139
2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 71396289
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203710
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203678
2-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 77046639
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzenesulfonamide
CID 3748114

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide (CID 28861731) is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide is Nc1cccc(-c2csc(NS(=O)(=O)c3ccccc3Cl)n2)c1.
What is the InChIKey of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide?
The InChIKey is SBDQEAHXHVMDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S2/c16-12-6-1-2-7-14(12)23(20,21)19-15-18-13(9-22-15)10-4-3-5-11(17)8-10/h1-9H,17H2,(H,18,19).
What are the key properties of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide?
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide has a molecular weight of 365.87 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 28861731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).