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

C15H14Cl2N4O2S — CID 170426799

IUPACN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C15H14Cl2N4O2S/c1-24(22,23)20-11-4-5-21-14-9(2-3-10(16)13(14)17)12(15(11)21)8-6-18-19-7-8/h2-3,6-7,11,20H,4-5H2,1H3,(H,18,19)
InChIKeyBMPAWXAQUMVXBX-UHFFFAOYSA-N
MW385.28 g/mol
LogP3.33
Rot. Bonds3

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

N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]methanesulfonamide (PubChem CID 170426799) 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-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]methanesulfonamide
PubChem CID170426799
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-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C15H14Cl2N4O2S/c1-24(22,23)20-11-4-5-21-14-9(2-3-10(16)13(14)17)12(15(11)21)8-6-18-19-7-8/h2-3,6-7,11,20H,4-5H2,1H3,(H,18,19)
InChIKeyBMPAWXAQUMVXBX-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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-3-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
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
US20230391786, Example 26
CID 170426949

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-3-yl]methanesulfonamide?
The IUPAC name of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]methanesulfonamide (CID 170426799) is N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-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-3-yl]methanesulfonamide?
The canonical SMILES for N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12.
What is the InChIKey of N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]methanesulfonamide?
The InChIKey is BMPAWXAQUMVXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2S/c1-24(22,23)20-11-4-5-21-14-9(2-3-10(16)13(14)17)12(15(11)21)8-6-18-19-7-8/h2-3,6-7,11,20H,4-5H2,1H3,(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-3-yl]methanesulfonamide?
N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]methanesulfonamide has a molecular weight of 385.28 g/mol, XLogP of 3.33, 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-3-yl]methanesulfonamide is sourced from PubChem (CID 170426799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).