3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide

C15H17ClN4O4S — CID 10068626

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C15H17ClN4O4S/c1-9(21)19-4-6-20(7-5-19)25(23,24)14-11-8-10(16)2-3-12(11)18-13(14)15(17)22/h2-3,8,18H,4-7H2,1H3,(H2,17,22)
InChIKeyNVJJBPAWEMXLMX-UHFFFAOYSA-N
MW384.85 g/mol
LogP0.77
Rot. Bonds3

About 3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide

3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide (PubChem CID 10068626) has the molecular formula C15H17ClN4O4S and a molecular weight of 384.85 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide
PubChem CID10068626
Molecular FormulaC15H17ClN4O4S
Molecular Weight384.85 g/mol
Exact Mass384.07
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C15H17ClN4O4S/c1-9(21)19-4-6-20(7-5-19)25(23,24)14-11-8-10(16)2-3-12(11)18-13(14)15(17)22/h2-3,8,18H,4-7H2,1H3,(H2,17,22)
InChIKeyNVJJBPAWEMXLMX-UHFFFAOYSA-N
XLogP0.77
TPSA116.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide
CID 162220092
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
CID 506869
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide
CID 57445057
5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide
CID 10425860
5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide
CID 10471920
5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 506872
3-morpholin-4-ylsulfonyl-5-nitro-1H-indole-2-carboxamide
CID 10428193
5-chloro-3-[methyl(oxan-4-yl)sulfamoyl]-1H-indole-2-carboxamide
CID 10067849
5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide
CID 90709499
5-chloro-3-[2-[(4-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide
CID 78168628
5-chloro-3-[2-[[4-(2-methyl-4-pyridinyl)phenoxy]methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide
CID 78168658

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide (CID 10068626) is 3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide is CC(=O)N1CCN(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide?
The InChIKey is NVJJBPAWEMXLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O4S/c1-9(21)19-4-6-20(7-5-19)25(23,24)14-11-8-10(16)2-3-12(11)18-13(14)15(17)22/h2-3,8,18H,4-7H2,1H3,(H2,17,22).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide has a molecular weight of 384.85 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 10068626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).