2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide

C22H17ClN4O4S2 — CID 57422752

IUPAC2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1nc2ccc(S(=O)(=O)CCc3ccccn3)cc2s1
InChIInChI=1S/C22H17ClN4O4S2/c23-17-7-2-1-6-16(17)20(28)26-21(29)27-22-25-18-9-8-15(13-19(18)32-22)33(30,31)12-10-14-5-3-4-11-24-14/h1-9,11,13H,10,12H2,(H2,25,26,27,28,29)
InChIKeyHHCWNORVHQNAHN-UHFFFAOYSA-N
MW500.99 g/mol
LogP4.32
Rot. Bonds6

About 2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide

2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide (PubChem CID 57422752) has the molecular formula C22H17ClN4O4S2 and a molecular weight of 500.99 g/mol. Its IUPAC name is 2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide
PubChem CID57422752
Molecular FormulaC22H17ClN4O4S2
Molecular Weight500.99 g/mol
Exact Mass500.04
IUPAC Name2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1nc2ccc(S(=O)(=O)CCc3ccccn3)cc2s1
InChIInChI=1S/C22H17ClN4O4S2/c23-17-7-2-1-6-16(17)20(28)26-21(29)27-22-25-18-9-8-15(13-19(18)32-22)33(30,31)12-10-14-5-3-4-11-24-14/h1-9,11,13H,10,12H2,(H2,25,26,27,28,29)
InChIKeyHHCWNORVHQNAHN-UHFFFAOYSA-N
XLogP4.32
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.99
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[[6-[2-(2-fluoroethylamino)ethylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 25262934
2-chloro-N-[[6-[3-(2-hydroxyethylamino)propylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 25261384
2-chloro-N-[[6-[2-(2-methylpropylamino)ethylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 57422655
2-chloro-N-[[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 57422784
2-chloro-N-[[6-[2-(2,6-dimethylmorpholin-4-yl)ethylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 57422651
2-chloro-N-[[6-[3-imino-4-(methoxymethyl)hexyl]sulfonyl-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 175265652
2-chloro-4-methylsulfonyl-N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide
CID 25261062
2-iodo-N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide
CID 57422705
5-amino-2-chloro-N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide
CID 143788108
9H-fluoren-9-ylmethyl N-[2-[[2-[(2-chlorobenzoyl)carbamoylamino]-1,3-benzothiazol-6-yl]sulfonyl]-2-methylpropyl]-N-propan-2-ylcarbamate
CID 57422922
2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3601899
2-chloro-5-[(dimethylamino)methyl]-N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzamide
CID 57422814

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide (CID 57422752) is 2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1nc2ccc(S(=O)(=O)CCc3ccccn3)cc2s1.
What is the InChIKey of 2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide?
The InChIKey is HHCWNORVHQNAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O4S2/c23-17-7-2-1-6-16(17)20(28)26-21(29)27-22-25-18-9-8-15(13-19(18)32-22)33(30,31)12-10-14-5-3-4-11-24-14/h1-9,11,13H,10,12H2,(H2,25,26,27,28,29).
What are the key properties of 2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide?
2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide has a molecular weight of 500.99 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[6-(2-pyridin-2-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide is sourced from PubChem (CID 57422752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).