3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide

C14H17ClN2O4S2 — CID 110398411

IUPAC3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESCOCc1nc(CCNS(=O)(=O)c2ccc(OC)c(Cl)c2)cs1
InChIInChI=1S/C14H17ClN2O4S2/c1-20-8-14-17-10(9-22-14)5-6-16-23(18,19)11-3-4-13(21-2)12(15)7-11/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyXXRCVTXLCXEYKH-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.47
Rot. Bonds8

About 3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide

3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (PubChem CID 110398411) has the molecular formula C14H17ClN2O4S2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
PubChem CID110398411
Molecular FormulaC14H17ClN2O4S2
Molecular Weight376.89 g/mol
Exact Mass376.03
IUPAC Name3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESCOCc1nc(CCNS(=O)(=O)c2ccc(OC)c(Cl)c2)cs1
InChIInChI=1S/C14H17ClN2O4S2/c1-20-8-14-17-10(9-22-14)5-6-16-23(18,19)11-3-4-13(21-2)12(15)7-11/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyXXRCVTXLCXEYKH-UHFFFAOYSA-N
XLogP2.47
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 38997085
4-tert-butyl-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110398436
2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide
CID 110398405
5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110398410
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-chloro-4-methylbenzenesulfonamide
CID 110717932
3-chloro-4-methoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318264
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 54773857
3-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 7522047
3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773890

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (CID 110398411) is 3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is COCc1nc(CCNS(=O)(=O)c2ccc(OC)c(Cl)c2)cs1.
What is the InChIKey of 3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The InChIKey is XXRCVTXLCXEYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S2/c1-20-8-14-17-10(9-22-14)5-6-16-23(18,19)11-3-4-13(21-2)12(15)7-11/h3-4,7,9,16H,5-6,8H2,1-2H3.
What are the key properties of 3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide has a molecular weight of 376.89 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110398411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).