N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

C22H17N3O3S2 — CID 24602664

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)Nc3ccccc3-c3nc4ccccc4s3)ccc21
InChIInChI=1S/C22H17N3O3S2/c1-25-19-11-10-15(12-14(19)13-21(25)26)30(27,28)24-17-7-3-2-6-16(17)22-23-18-8-4-5-9-20(18)29-22/h2-12,24H,13H2,1H3
InChIKeyPVDRMCCQJICJSW-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.28
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 24602664) has the molecular formula C22H17N3O3S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID24602664
Molecular FormulaC22H17N3O3S2
Molecular Weight435.53 g/mol
Exact Mass435.07
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)Nc3ccccc3-c3nc4ccccc4s3)ccc21
InChIInChI=1S/C22H17N3O3S2/c1-25-19-11-10-15(12-14(19)13-21(25)26)30(27,28)24-17-7-3-2-6-16(17)22-23-18-8-4-5-9-20(18)29-22/h2-12,24H,13H2,1H3
InChIKeyPVDRMCCQJICJSW-UHFFFAOYSA-N
XLogP4.28
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113098520
1-methyl-2-oxo-N-quinolin-8-yl-3H-indole-5-sulfonamide
CID 17498186
1-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-3H-indole-5-sulfonamide
CID 110727217
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
CID 23613647
N-(1,3-benzothiazol-2-yl)-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide
CID 91938372
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 154747510
N-[2-(4-ethoxyphenoxy)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 17460804
1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide
CID 3163725
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3992916
N-(2-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383218

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 24602664) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccccc3-c3nc4ccccc4s3)ccc21.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is PVDRMCCQJICJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S2/c1-25-19-11-10-15(12-14(19)13-21(25)26)30(27,28)24-17-7-3-2-6-16(17)22-23-18-8-4-5-9-20(18)29-22/h2-12,24H,13H2,1H3.
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 435.53 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 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]-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 24602664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).