N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

C20H23ClN4O3S — CID 112807801

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1
InChIInChI=1S/C20H23ClN4O3S/c1-23-7-9-25(10-8-23)19-5-3-15(21)13-17(19)22-29(27,28)16-4-6-18-14(11-16)12-20(26)24(18)2/h3-6,11,13,22H,7-10,12H2,1-2H3
InChIKeyDONKMNZPJGMFSR-UHFFFAOYSA-N
MW434.95 g/mol
LogP2.41
Rot. Bonds4

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 112807801) has the molecular formula C20H23ClN4O3S and a molecular weight of 434.95 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID112807801
Molecular FormulaC20H23ClN4O3S
Molecular Weight434.95 g/mol
Exact Mass434.12
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1
InChIInChI=1S/C20H23ClN4O3S/c1-23-7-9-25(10-8-23)19-5-3-15(21)13-17(19)22-29(27,28)16-4-6-18-14(11-16)12-20(26)24(18)2/h3-6,11,13,22H,7-10,12H2,1-2H3
InChIKeyDONKMNZPJGMFSR-UHFFFAOYSA-N
XLogP2.41
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide
CID 78787086
N-(3-chloro-2-morpholin-4-ylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 24602966
3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113098520
1-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-3H-indole-5-sulfonamide
CID 110727217
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113090740
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate
CID 24663091
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
1-methyl-2-oxo-N-quinolin-8-yl-3H-indole-5-sulfonamide
CID 17498186
N-[4-(4-chlorophenyl)butyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110357512

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 112807801) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is CN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is DONKMNZPJGMFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S/c1-23-7-9-25(10-8-23)19-5-3-15(21)13-17(19)22-29(27,28)16-4-6-18-14(11-16)12-20(26)24(18)2/h3-6,11,13,22H,7-10,12H2,1-2H3.
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 434.95 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 112807801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).