N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide

C21H24N4O3S — CID 171536240

IUPACN-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(CNC(=O)n3ccc4ccccc43)cc2)CC1
InChIInChI=1S/C21H24N4O3S/c1-23-12-14-24(15-13-23)29(27,28)19-8-6-17(7-9-19)16-22-21(26)25-11-10-18-4-2-3-5-20(18)25/h2-11H,12-16H2,1H3,(H,22,26)
InChIKeyFIWBRIAAEUJCCX-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.34
Rot. Bonds4

About N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide

N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide (PubChem CID 171536240) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide
PubChem CID171536240
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(CNC(=O)n3ccc4ccccc43)cc2)CC1
InChIInChI=1S/C21H24N4O3S/c1-23-12-14-24(15-13-23)29(27,28)19-8-6-17(7-9-19)16-22-21(26)25-11-10-18-4-2-3-5-20(18)25/h2-11H,12-16H2,1H3,(H,22,26)
InChIKeyFIWBRIAAEUJCCX-UHFFFAOYSA-N
XLogP2.34
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(azepan-1-ylsulfonyl)phenyl]methyl]indole-1-carboxamide
CID 171536260
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide
CID 108736162
5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide
CID 171536169
5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide
CID 171536131
(2E,4E)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]hexa-2,4-dienamide
CID 108736056
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide
CID 171536234
4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide
CID 108899617
N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 23849761
methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methylcarbamoyl]benzoate
CID 108736156
2-chloro-6-fluoro-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]benzamide
CID 108736084
3-methyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]quinoxalin-2-amine
CID 108774975
2-methyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-3-nitrobenzamide
CID 108736154

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide?
The IUPAC name of N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide (CID 171536240) is N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide.
What is the SMILES notation for N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide?
The canonical SMILES for N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide is CN1CCN(S(=O)(=O)c2ccc(CNC(=O)n3ccc4ccccc43)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide?
The InChIKey is FIWBRIAAEUJCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-23-12-14-24(15-13-23)29(27,28)19-8-6-17(7-9-19)16-22-21(26)25-11-10-18-4-2-3-5-20(18)25/h2-11H,12-16H2,1H3,(H,22,26).
What are the key properties of N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide?
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide is sourced from PubChem (CID 171536240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).