5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

C11H11ClN2O3S2 — CID 110717401

IUPAC5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1cscn1
InChIInChI=1S/C11H11ClN2O3S2/c1-17-10-3-2-8(12)4-11(10)19(15,16)14-5-9-6-18-7-13-9/h2-4,6-7,14H,5H2,1H3
InChIKeyJPECVXAGRGNXRW-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.28
Rot. Bonds5

About 5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide

5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (PubChem CID 110717401) has the molecular formula C11H11ClN2O3S2 and a molecular weight of 318.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
PubChem CID110717401
Molecular FormulaC11H11ClN2O3S2
Molecular Weight318.81 g/mol
Exact Mass317.99
IUPAC Name5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1cscn1
InChIInChI=1S/C11H11ClN2O3S2/c1-17-10-3-2-8(12)4-11(10)19(15,16)14-5-9-6-18-7-13-9/h2-4,6-7,14H,5H2,1H3
InChIKeyJPECVXAGRGNXRW-UHFFFAOYSA-N
XLogP2.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63829495
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625706
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 107343564
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
5-chloro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 110717389
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (CID 110717401) is 5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1cscn1.
What is the InChIKey of 5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is JPECVXAGRGNXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S2/c1-17-10-3-2-8(12)4-11(10)19(15,16)14-5-9-6-18-7-13-9/h2-4,6-7,14H,5H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 318.81 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110717401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).