N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide

C22H23N5O4S2 — CID 55792264

IUPACN-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C22H23N5O4S2/c1-25(21(28)15-9-10-15)18-7-3-2-5-16(18)22(29)26-11-13-27(14-12-26)33(30,31)19-8-4-6-17-20(19)24-32-23-17/h2-8,15H,9-14H2,1H3
InChIKeyMUIVLCVAROJVRI-UHFFFAOYSA-N
MW485.59 g/mol
LogP2.21
Rot. Bonds5

About N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide

N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide (PubChem CID 55792264) has the molecular formula C22H23N5O4S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide
PubChem CID55792264
Molecular FormulaC22H23N5O4S2
Molecular Weight485.59 g/mol
Exact Mass485.12
IUPAC NameN-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C22H23N5O4S2/c1-25(21(28)15-9-10-15)18-7-3-2-5-16(18)22(29)26-11-13-27(14-12-26)33(30,31)19-8-4-6-17-20(19)24-32-23-17/h2-8,15H,9-14H2,1H3
InChIKeyMUIVLCVAROJVRI-UHFFFAOYSA-N
XLogP2.21
TPSA103.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide (CID 55792264) is N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1.
What is the InChIKey of N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide?
The InChIKey is MUIVLCVAROJVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S2/c1-25(21(28)15-9-10-15)18-7-3-2-5-16(18)22(29)26-11-13-27(14-12-26)33(30,31)19-8-4-6-17-20(19)24-32-23-17/h2-8,15H,9-14H2,1H3.
What are the key properties of N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide?
N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide has a molecular weight of 485.59 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 55792264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).