N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide

C21H23ClN4O3S — CID 50799026

IUPACN-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1
InChIInChI=1S/C21H23ClN4O3S/c1-15-18(22)4-3-5-19(15)23-21(27)25-10-12-26(13-11-25)30(28,29)17-6-7-20-16(14-17)8-9-24(20)2/h3-9,14H,10-13H2,1-2H3,(H,23,27)
InChIKeyJKQZDZRQZIZDQS-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.68
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide

N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide (PubChem CID 50799026) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide
PubChem CID50799026
Molecular FormulaC21H23ClN4O3S
Molecular Weight446.96 g/mol
Exact Mass446.12
IUPAC NameN-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1
InChIInChI=1S/C21H23ClN4O3S/c1-15-18(22)4-3-5-19(15)23-21(27)25-10-12-26(13-11-25)30(28,29)17-6-7-20-16(14-17)8-9-24(20)2/h3-9,14H,10-13H2,1-2H3,(H,23,27)
InChIKeyJKQZDZRQZIZDQS-UHFFFAOYSA-N
XLogP3.68
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide 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

4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 50744365
4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 20966680
methyl 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepane-1-carbonyl]amino]benzoate
CID 50799015
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111834
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 26589786
N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 17299399
N-(3-chloro-2-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 31631258
5-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246543
N-(3-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99591307
N-(3-chloro-2-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113096
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide (CID 50799026) is N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide is Cc1c(Cl)cccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(ccn3C)c2)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide?
The InChIKey is JKQZDZRQZIZDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-15-18(22)4-3-5-19(15)23-21(27)25-10-12-26(13-11-25)30(28,29)17-6-7-20-16(14-17)8-9-24(20)2/h3-9,14H,10-13H2,1-2H3,(H,23,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide?
N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide has a molecular weight of 446.96 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-(1-methylindol-5-yl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 50799026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).