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

C11H12ClN3O2S2 — CID 107124007

IUPAC[4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCc2ncc(Cl)s2)cc1
InChIInChI=1S/C11H12ClN3O2S2/c12-10-5-15-11(18-10)6-14-9-3-1-8(2-4-9)7-19(13,16)17/h1-5,14H,6-7H2,(H2,13,16,17)
InChIKeyACNWOVBRDCIGOS-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.20
Rot. Bonds5

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

[4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 107124007) has the molecular formula C11H12ClN3O2S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is [4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
PubChem CID107124007
Molecular FormulaC11H12ClN3O2S2
Molecular Weight317.82 g/mol
Exact Mass317.01
IUPAC Name[4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCc2ncc(Cl)s2)cc1
InChIInChI=1S/C11H12ClN3O2S2/c12-10-5-15-11(18-10)6-14-9-3-1-8(2-4-9)7-19(13,16)17/h1-5,14H,6-7H2,(H2,13,16,17)
InChIKeyACNWOVBRDCIGOS-UHFFFAOYSA-N
XLogP2.20
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide
CID 107095648
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921583
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
CID 104878720
[4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 110170598
[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
CID 43745169
[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745275
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 107123995
[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide
CID 62391957
N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 107123951
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 104878878

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of [4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide (CID 107124007) is [4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(NCc2ncc(Cl)s2)cc1.
What is the InChIKey of [4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is ACNWOVBRDCIGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S2/c12-10-5-15-11(18-10)6-14-9-3-1-8(2-4-9)7-19(13,16)17/h1-5,14H,6-7H2,(H2,13,16,17).
What are the key properties of [4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide?
[4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 317.82 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 107124007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).