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

C15H14Cl2N4O2S — CID 170427740

IUPACN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1Cc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C15H14Cl2N4O2S/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/h2-3,5-6,9,20H,4,7H2,1H3,(H,18,19)
InChIKeyCWVNLZUBLJRWCU-UHFFFAOYSA-N
MW385.28 g/mol
LogP2.81
Rot. Bonds3

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

N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide (PubChem CID 170427740) has the molecular formula C15H14Cl2N4O2S and a molecular weight of 385.28 g/mol. Its IUPAC name is N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide
PubChem CID170427740
Molecular FormulaC15H14Cl2N4O2S
Molecular Weight385.28 g/mol
Exact Mass384.02
IUPAC NameN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1Cc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C15H14Cl2N4O2S/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/h2-3,5-6,9,20H,4,7H2,1H3,(H,18,19)
InChIKeyCWVNLZUBLJRWCU-UHFFFAOYSA-N
XLogP2.81
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20230391786, Example 20
CID 170426488
US20230391786, Example 154
CID 170426540
US20230391786, Example 119
CID 170426620
US20230391786, Example 240
CID 170426694
US20230391786, Example 5
CID 170426740
US20230391786, Example 68
CID 170426750
US20230391786, Example 8
CID 170426767
US20230391786, Example 238
CID 170426799
6,7-Dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole
CID 170426855
US20230391786, Example 155
CID 170426879
US20230391786, Example 22
CID 170426929
US20230391786, Example 134
CID 170426932

Frequently Asked Questions

What is the IUPAC name of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide?
The IUPAC name of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide (CID 170427740) is N-[7,8-dichloro-4-(1H-pyrazol-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-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide?
The canonical SMILES for N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide is CS(=O)(=O)NC1Cc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1.
What is the InChIKey of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide?
The InChIKey is CWVNLZUBLJRWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2S/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/h2-3,5-6,9,20H,4,7H2,1H3,(H,18,19).
What are the key properties of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide?
N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide has a molecular weight of 385.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]methanesulfonamide is sourced from PubChem (CID 170427740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).