2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide

C10H10ClN3O2S2 — CID 133279971

IUPAC2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCc2ccccc2Cl)s1
InChIInChI=1S/C10H10ClN3O2S2/c11-8-4-2-1-3-7(8)5-13-10-14-6-9(17-10)18(12,15)16/h1-4,6H,5H2,(H,13,14)(H2,12,15,16)
InChIKeyLYUXVXDRFKXTDP-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.06
Rot. Bonds4

About 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide

2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 133279971) has the molecular formula C10H10ClN3O2S2 and a molecular weight of 303.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide
PubChem CID133279971
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC Name2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCc2ccccc2Cl)s1
InChIInChI=1S/C10H10ClN3O2S2/c11-8-4-2-1-3-7(8)5-13-10-14-6-9(17-10)18(12,15)16/h1-4,6H,5H2,(H,13,14)(H2,12,15,16)
InChIKeyLYUXVXDRFKXTDP-UHFFFAOYSA-N
XLogP2.06
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 86818334
2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 56789648
5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624509
2-[(2-chlorophenyl)methylamino]-1,3-benzothiazin-4-one
CID 175663483
2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide
CID 133430912
2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide
CID 133351194
2-[(2-chlorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306604
3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine
CID 12611962
2-(cyclopentylamino)-1,3-thiazole-5-sulfonamide
CID 133279976
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113041587
2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300
2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol
CID 91245583

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide (CID 133279971) is 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NCc2ccccc2Cl)s1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is LYUXVXDRFKXTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c11-8-4-2-1-3-7(8)5-13-10-14-6-9(17-10)18(12,15)16/h1-4,6H,5H2,(H,13,14)(H2,12,15,16).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide?
2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 303.80 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133279971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).