N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide

C15H18Cl2N4O2S — CID 170795263

IUPACN-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1Cc2c(C3CNNC3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C15H18Cl2N4O2S/c1-24(22,23)20-9-4-12-13(8-5-18-19-6-8)10-2-3-11(16)14(17)15(10)21(12)7-9/h2-3,8-9,18-20H,4-7H2,1H3
InChIKeyTZDATSMXKWNHCQ-UHFFFAOYSA-N
MW389.31 g/mol
LogP1.61
Rot. Bonds3

About N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide

N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide (PubChem CID 170795263) has the molecular formula C15H18Cl2N4O2S and a molecular weight of 389.31 g/mol. Its IUPAC name is N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide
PubChem CID170795263
Molecular FormulaC15H18Cl2N4O2S
Molecular Weight389.31 g/mol
Exact Mass388.05
IUPAC NameN-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1Cc2c(C3CNNC3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C15H18Cl2N4O2S/c1-24(22,23)20-9-4-12-13(8-5-18-19-6-8)10-2-3-11(16)14(17)15(10)21(12)7-9/h2-3,8-9,18-20H,4-7H2,1H3
InChIKeyTZDATSMXKWNHCQ-UHFFFAOYSA-N
XLogP1.61
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

US20230391786, Example 238
CID 170426799
US20230391786, Example 22
CID 170426929
US20230391786, Example 116
CID 170795225
US20230391786, Example 129
CID 170795229
US20230391786, Example 237
CID 170795260
N-[3-(6,7-dichloro-2-methylindol-1-yl)propyl]methanesulfonamide
CID 21884276
N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide
CID 170427740
7,8-dichloro-N-methylsulfanyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-amine
CID 170609809
7,8-dichloro-N-methylsulfanyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine
CID 170609847
N-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide
CID 170610264

Frequently Asked Questions

What is the IUPAC name of N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide?
The IUPAC name of N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide (CID 170795263) is N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide?
The canonical SMILES for N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide is CS(=O)(=O)NC1Cc2c(C3CNNC3)c3ccc(Cl)c(Cl)c3n2C1.
What is the InChIKey of N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide?
The InChIKey is TZDATSMXKWNHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O2S/c1-24(22,23)20-9-4-12-13(8-5-18-19-6-8)10-2-3-11(16)14(17)15(10)21(12)7-9/h2-3,8-9,18-20H,4-7H2,1H3.
What are the key properties of N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide?
N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide has a molecular weight of 389.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanesulfonamide is sourced from PubChem (CID 170795263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).