N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C21H16ClN3O4S2 — CID 35993548

IUPACN-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3s2)ccc1Cl
InChIInChI=1S/C21H16ClN3O4S2/c1-29-17-8-4-2-6-15(17)25-31(27,28)19-12-13(10-11-14(19)22)20(26)24-21-23-16-7-3-5-9-18(16)30-21/h2-12,25H,1H3,(H,23,24,26)
InChIKeyGLTGRBZVNFOBMG-UHFFFAOYSA-N
MW473.96 g/mol
LogP5.01
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 35993548) has the molecular formula C21H16ClN3O4S2 and a molecular weight of 473.96 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID35993548
Molecular FormulaC21H16ClN3O4S2
Molecular Weight473.96 g/mol
Exact Mass473.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3s2)ccc1Cl
InChIInChI=1S/C21H16ClN3O4S2/c1-29-17-8-4-2-6-15(17)25-31(27,28)19-12-13(10-11-14(19)22)20(26)24-21-23-16-7-3-5-9-18(16)30-21/h2-12,25H,1H3,(H,23,24,26)
InChIKeyGLTGRBZVNFOBMG-UHFFFAOYSA-N
XLogP5.01
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.96
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
N-(1,3-benzothiazol-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2634004
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 46556857
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
CID 54516374
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-chloro-4-methoxybenzamide
CID 1139259
N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55947709
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-quinolin-2-ylbenzamide
CID 55376485

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 35993548) is N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3s2)ccc1Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is GLTGRBZVNFOBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O4S2/c1-29-17-8-4-2-6-15(17)25-31(27,28)19-12-13(10-11-14(19)22)20(26)24-21-23-16-7-3-5-9-18(16)30-21/h2-12,25H,1H3,(H,23,24,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 473.96 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 35993548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).