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

C26H18ClN3O3S2 — CID 121041109

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H18ClN3O3S2/c27-17-13-15-18(16-14-17)35(32,33)30-22-10-4-1-7-19(22)25(31)28-21-9-3-2-8-20(21)26-29-23-11-5-6-12-24(23)34-26/h1-16,30H,(H,28,31)
InChIKeyPISMWAUGOLAIGP-UHFFFAOYSA-N
MW520.04 g/mol
LogP6.67
Rot. Bonds6

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

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide (PubChem CID 121041109) has the molecular formula C26H18ClN3O3S2 and a molecular weight of 520.04 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
PubChem CID121041109
Molecular FormulaC26H18ClN3O3S2
Molecular Weight520.04 g/mol
Exact Mass519.05
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H18ClN3O3S2/c27-17-13-15-18(16-14-17)35(32,33)30-22-10-4-1-7-19(22)25(31)28-21-9-3-2-8-20(21)26-29-23-11-5-6-12-24(23)34-26/h1-16,30H,(H,28,31)
InChIKeyPISMWAUGOLAIGP-UHFFFAOYSA-N
XLogP6.67
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.04
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3992916
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 25040510
(2R)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 40878885
N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonylamino]benzenecarboximidate
CID 2331914
2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide
CID 16874544
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041363
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4549252
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121040865
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide
CID 4283027
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzenesulfonamide
CID 1255601

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide (CID 121041109) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide is O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The InChIKey is PISMWAUGOLAIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O3S2/c27-17-13-15-18(16-14-17)35(32,33)30-22-10-4-1-7-19(22)25(31)28-21-9-3-2-8-20(21)26-29-23-11-5-6-12-24(23)34-26/h1-16,30H,(H,28,31).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide has a molecular weight of 520.04 g/mol, XLogP of 6.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121041109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).