N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide

C22H16ClN3O3S2 — CID 4181352

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H16ClN3O3S2/c23-17-5-3-7-19-20(17)24-22(30-19)25-21(27)15-8-10-16(11-9-15)31(28,29)26-13-12-14-4-1-2-6-18(14)26/h1-11H,12-13H2,(H,24,25,27)
InChIKeyPNXIAUFOBBHJAM-UHFFFAOYSA-N
MW469.98 g/mol
LogP4.95
Rot. Bonds4

About N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide

N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide (PubChem CID 4181352) has the molecular formula C22H16ClN3O3S2 and a molecular weight of 469.98 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
PubChem CID4181352
Molecular FormulaC22H16ClN3O3S2
Molecular Weight469.98 g/mol
Exact Mass469.03
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H16ClN3O3S2/c23-17-5-3-7-19-20(17)24-22(30-19)25-21(27)15-8-10-16(11-9-15)31(28,29)26-13-12-14-4-1-2-6-18(14)26/h1-11H,12-13H2,(H,24,25,27)
InChIKeyPNXIAUFOBBHJAM-UHFFFAOYSA-N
XLogP4.95
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.98
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide (CID 4181352) is N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide is O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The InChIKey is PNXIAUFOBBHJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3S2/c23-17-5-3-7-19-20(17)24-22(30-19)25-21(27)15-8-10-16(11-9-15)31(28,29)26-13-12-14-4-1-2-6-18(14)26/h1-11H,12-13H2,(H,24,25,27).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide has a molecular weight of 469.98 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide is sourced from PubChem (CID 4181352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).