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

C15H12ClN3O2S2 — CID 15865923

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide
SMILESNc1nc(-c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H12ClN3O2S2/c16-10-5-7-11(8-6-10)23(20,21)19-13-4-2-1-3-12(13)14-9-22-15(17)18-14/h1-9,19H,(H2,17,18)
InChIKeyVCUFHWVFLOBHGQ-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.85
Rot. Bonds4

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

N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide (PubChem CID 15865923) has the molecular formula C15H12ClN3O2S2 and a molecular weight of 365.87 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide
PubChem CID15865923
Molecular FormulaC15H12ClN3O2S2
Molecular Weight365.87 g/mol
Exact Mass365.01
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide
SMILESNc1nc(-c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H12ClN3O2S2/c16-10-5-7-11(8-6-10)23(20,21)19-13-4-2-1-3-12(13)14-9-22-15(17)18-14/h1-9,19H,(H2,17,18)
InChIKeyVCUFHWVFLOBHGQ-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

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Related Compounds

4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 10553008
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 90626948
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 90626836
3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 90626141
1-[4-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)thiourea
CID 10720992
1-[4-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)thiourea
CID 10816023
4-fluoro-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121149546
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90626885
4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 10674405
4-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzenesulfonamide;4-naphthalen-1-yl-1,3-thiazol-2-amine;hydrobromide
CID 161448833
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-3-nitrobenzenesulfonamide
CID 90626956

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide (CID 15865923) is N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide is Nc1nc(-c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide?
The InChIKey is VCUFHWVFLOBHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S2/c16-10-5-7-11(8-6-10)23(20,21)19-13-4-2-1-3-12(13)14-9-22-15(17)18-14/h1-9,19H,(H2,17,18).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide?
N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-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-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 15865923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).