N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide

C21H15Cl2N3O4S2 — CID 41018254

IUPACN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)nc12
InChIInChI=1S/C21H15Cl2N3O4S2/c1-30-17-10-9-16(23)19-18(17)24-21(31-19)25-20(27)12-3-2-4-14(11-12)26-32(28,29)15-7-5-13(22)6-8-15/h2-11,26H,1H3,(H,24,25,27)
InChIKeyHVOQCWJRCNVXST-UHFFFAOYSA-N
MW508.41 g/mol
LogP5.66
Rot. Bonds6

About N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide (PubChem CID 41018254) has the molecular formula C21H15Cl2N3O4S2 and a molecular weight of 508.41 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
PubChem CID41018254
Molecular FormulaC21H15Cl2N3O4S2
Molecular Weight508.41 g/mol
Exact Mass506.99
IUPAC NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)nc12
InChIInChI=1S/C21H15Cl2N3O4S2/c1-30-17-10-9-16(23)19-18(17)24-21(31-19)25-20(27)12-3-2-4-14(11-12)26-32(28,29)15-7-5-13(22)6-8-15/h2-11,26H,1H3,(H,24,25,27)
InChIKeyHVOQCWJRCNVXST-UHFFFAOYSA-N
XLogP5.66
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.41
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018251
3-[(4-chlorophenyl)sulfonylamino]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 121042912
4-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018256
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7590117
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 41018250
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 43995142
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043147
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121042716
3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 121041666
N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043145
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methylphenyl)urea
CID 121081229

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide (CID 41018254) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide is COc1ccc(Cl)c2sc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)nc12.
What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide?
The InChIKey is HVOQCWJRCNVXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O4S2/c1-30-17-10-9-16(23)19-18(17)24-21(31-19)25-20(27)12-3-2-4-14(11-12)26-32(28,29)15-7-5-13(22)6-8-15/h2-11,26H,1H3,(H,24,25,27).
What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide?
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide has a molecular weight of 508.41 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 41018254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).