N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide

C11H11Cl2N3O2S2 — CID 107123951

IUPACN-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NCc2ncc(Cl)s2)c1
InChIInChI=1S/C11H11Cl2N3O2S2/c1-20(17,18)16-7-2-3-8(12)9(4-7)14-6-11-15-5-10(13)19-11/h2-5,14,16H,6H2,1H3
InChIKeyJQGOCKCVFNOSJN-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.43
Rot. Bonds5

About N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide

N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 107123951) has the molecular formula C11H11Cl2N3O2S2 and a molecular weight of 352.27 g/mol. Its IUPAC name is N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
PubChem CID107123951
Molecular FormulaC11H11Cl2N3O2S2
Molecular Weight352.27 g/mol
Exact Mass350.97
IUPAC NameN-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NCc2ncc(Cl)s2)c1
InChIInChI=1S/C11H11Cl2N3O2S2/c1-20(17,18)16-7-2-3-8(12)9(4-7)14-6-11-15-5-10(13)19-11/h2-5,14,16H,6H2,1H3
InChIKeyJQGOCKCVFNOSJN-UHFFFAOYSA-N
XLogP3.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-bromothiophen-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
CID 43708393
N-[4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide
CID 66397679
N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43708221
N-[4-chloro-3-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide
CID 114555179
N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 62756131
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylsulfonylaniline
CID 107123989
N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide
CID 43708233
2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921758
N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
CID 106885182
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
CID 104878720
2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline
CID 104921573
N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide
CID 43708204

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide (CID 107123951) is N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Cl)c(NCc2ncc(Cl)s2)c1.
What is the InChIKey of N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is JQGOCKCVFNOSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2S2/c1-20(17,18)16-7-2-3-8(12)9(4-7)14-6-11-15-5-10(13)19-11/h2-5,14,16H,6H2,1H3.
What are the key properties of N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide?
N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 352.27 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 107123951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).