2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

C17H20ClN3O4S2 — CID 42334605

IUPAC2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCCC3)c1
InChIInChI=1S/C17H20ClN3O4S2/c1-25-9-8-19-27(23,24)11-6-7-13(18)12(10-11)16(22)21-17-20-14-4-2-3-5-15(14)26-17/h6-7,10,19H,2-5,8-9H2,1H3,(H,20,21,22)
InChIKeyNYQSEWDLGZNNFJ-UHFFFAOYSA-N
MW429.95 g/mol
LogP2.85
Rot. Bonds7

About 2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 42334605) has the molecular formula C17H20ClN3O4S2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID42334605
Molecular FormulaC17H20ClN3O4S2
Molecular Weight429.95 g/mol
Exact Mass429.06
IUPAC Name2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCCC3)c1
InChIInChI=1S/C17H20ClN3O4S2/c1-25-9-8-19-27(23,24)11-6-7-13(18)12(10-11)16(22)21-17-20-14-4-2-3-5-15(14)26-17/h6-7,10,19H,2-5,8-9H2,1H3,(H,20,21,22)
InChIKeyNYQSEWDLGZNNFJ-UHFFFAOYSA-N
XLogP2.85
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43054170
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 24611843
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 4857704
5-(diethylsulfamoyl)-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 46560722
3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 24611804
4-amino-5-chloro-2-methoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 119700477
5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 120619567
2-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-carboxamide
CID 106686629
3-[(4-bromophenyl)sulfonylamino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 42333927
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride
CID 120624908
2-hydroxy-5-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 60709611

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 42334605) is 2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCCC3)c1.
What is the InChIKey of 2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is NYQSEWDLGZNNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S2/c1-25-9-8-19-27(23,24)11-6-7-13(18)12(10-11)16(22)21-17-20-14-4-2-3-5-15(14)26-17/h6-7,10,19H,2-5,8-9H2,1H3,(H,20,21,22).
What are the key properties of 2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 429.95 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 42334605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).