N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide

C12H11ClN4O3S — CID 62998938

IUPACN-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2cc3c(cc2Cl)NC(=O)C3)[nH]1
InChIInChI=1S/C12H11ClN4O3S/c1-6-14-5-12(15-6)21(19,20)17-10-2-7-3-11(18)16-9(7)4-8(10)13/h2,4-5,17H,3H2,1H3,(H,14,15)(H,16,18)
InChIKeyFWTIJPVYHGHODU-UHFFFAOYSA-N
MW326.77 g/mol
LogP1.67
Rot. Bonds3

About N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide

N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 62998938) has the molecular formula C12H11ClN4O3S and a molecular weight of 326.77 g/mol. Its IUPAC name is N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID62998938
Molecular FormulaC12H11ClN4O3S
Molecular Weight326.77 g/mol
Exact Mass326.02
IUPAC NameN-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2cc3c(cc2Cl)NC(=O)C3)[nH]1
InChIInChI=1S/C12H11ClN4O3S/c1-6-14-5-12(15-6)21(19,20)17-10-2-7-3-11(18)16-9(7)4-8(10)13/h2,4-5,17H,3H2,1H3,(H,14,15)(H,16,18)
InChIKeyFWTIJPVYHGHODU-UHFFFAOYSA-N
XLogP1.67
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide (CID 62998938) is N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2cc3c(cc2Cl)NC(=O)C3)[nH]1.
What is the InChIKey of N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is FWTIJPVYHGHODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3S/c1-6-14-5-12(15-6)21(19,20)17-10-2-7-3-11(18)16-9(7)4-8(10)13/h2,4-5,17H,3H2,1H3,(H,14,15)(H,16,18).
What are the key properties of N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 326.77 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 62998938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).