5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide

C17H22ClN3O4S2 — CID 108783910

IUPAC5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1csc(CN2CCOCC2)n1
InChIInChI=1S/C17H22ClN3O4S2/c1-20(27(22,23)16-9-13(18)3-4-15(16)24-2)10-14-12-26-17(19-14)11-21-5-7-25-8-6-21/h3-4,9,12H,5-8,10-11H2,1-2H3
InChIKeyXBUHHRIBBHKSER-UHFFFAOYSA-N
MW431.97 g/mol
LogP2.46
Rot. Bonds7

About 5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide

5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide (PubChem CID 108783910) has the molecular formula C17H22ClN3O4S2 and a molecular weight of 431.97 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
PubChem CID108783910
Molecular FormulaC17H22ClN3O4S2
Molecular Weight431.97 g/mol
Exact Mass431.07
IUPAC Name5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1csc(CN2CCOCC2)n1
InChIInChI=1S/C17H22ClN3O4S2/c1-20(27(22,23)16-9-13(18)3-4-15(16)24-2)10-14-12-26-17(19-14)11-21-5-7-25-8-6-21/h3-4,9,12H,5-8,10-11H2,1-2H3
InChIKeyXBUHHRIBBHKSER-UHFFFAOYSA-N
XLogP2.46
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-dichlorophenoxy)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768954
2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108746677
6-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-benzothiazol-2-amine
CID 108778799
3-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768870
2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768850
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386987
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108746674
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
2-chloroethyl N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]carbamate
CID 108746686
5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide
CID 108780350
2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768844
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide (CID 108783910) is 5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1csc(CN2CCOCC2)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
The InChIKey is XBUHHRIBBHKSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O4S2/c1-20(27(22,23)16-9-13(18)3-4-15(16)24-2)10-14-12-26-17(19-14)11-21-5-7-25-8-6-21/h3-4,9,12H,5-8,10-11H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide has a molecular weight of 431.97 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 108783910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).