4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide

C19H16N4O2S — CID 71481878

IUPAC4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3ccccc3n2-c2ncccn2)cc1
InChIInChI=1S/C19H16N4O2S/c1-14-7-9-16(10-8-14)26(24,25)22-18-13-15-5-2-3-6-17(15)23(18)19-20-11-4-12-21-19/h2-13,22H,1H3
InChIKeyGKDIPEVLVJCPIT-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.53
Rot. Bonds4

About 4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide

4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide (PubChem CID 71481878) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide
PubChem CID71481878
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3ccccc3n2-c2ncccn2)cc1
InChIInChI=1S/C19H16N4O2S/c1-14-7-9-16(10-8-14)26(24,25)22-18-13-15-5-2-3-6-17(15)23(18)19-20-11-4-12-21-19/h2-13,22H,1H3
InChIKeyGKDIPEVLVJCPIT-UHFFFAOYSA-N
XLogP3.53
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide
CID 71482177
(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 102206318
4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide
CID 3513839
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 13219968
4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide
CID 102141754
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 10596607
4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide
CID 17220334
4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide
CID 10519258
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 121112921

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide (CID 71481878) is 4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3ccccc3n2-c2ncccn2)cc1.
What is the InChIKey of 4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide?
The InChIKey is GKDIPEVLVJCPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-14-7-9-16(10-8-14)26(24,25)22-18-13-15-5-2-3-6-17(15)23(18)19-20-11-4-12-21-19/h2-13,22H,1H3.
What are the key properties of 4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide?
4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71481878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).