5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide

C11H13ClN2O3S3 — CID 110398410

IUPAC5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
SMILESCOCc1nc(CCNS(=O)(=O)c2ccc(Cl)s2)cs1
InChIInChI=1S/C11H13ClN2O3S3/c1-17-6-10-14-8(7-18-10)4-5-13-20(15,16)11-3-2-9(12)19-11/h2-3,7,13H,4-6H2,1H3
InChIKeyLNASIJNIXJLGSF-UHFFFAOYSA-N
MW352.89 g/mol
LogP2.53
Rot. Bonds7

About 5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 110398410) has the molecular formula C11H13ClN2O3S3 and a molecular weight of 352.89 g/mol. Its IUPAC name is 5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
PubChem CID110398410
Molecular FormulaC11H13ClN2O3S3
Molecular Weight352.89 g/mol
Exact Mass351.98
IUPAC Name5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
SMILESCOCc1nc(CCNS(=O)(=O)c2ccc(Cl)s2)cs1
InChIInChI=1S/C11H13ClN2O3S3/c1-17-6-10-14-8(7-18-10)4-5-13-20(15,16)11-3-2-9(12)19-11/h2-3,7,13H,4-6H2,1H3
InChIKeyLNASIJNIXJLGSF-UHFFFAOYSA-N
XLogP2.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110398411
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-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110717446
4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110398339
5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110397970
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide
CID 110717928
5-chloro-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiophene-2-sulfonamide
CID 7150805
5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 71797224
N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
CID 110398286
5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110646335
5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 110314704

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide (CID 110398410) is 5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide is COCc1nc(CCNS(=O)(=O)c2ccc(Cl)s2)cs1.
What is the InChIKey of 5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is LNASIJNIXJLGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S3/c1-17-6-10-14-8(7-18-10)4-5-13-20(15,16)11-3-2-9(12)19-11/h2-3,7,13H,4-6H2,1H3.
What are the key properties of 5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 352.89 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110398410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).