N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide

C22H26ClN3O6S — CID 26620956

IUPACN'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1OC
InChIInChI=1S/C22H26ClN3O6S/c1-3-32-19-10-7-15(13-20(19)31-2)21(27)24-25-22(28)17-14-16(8-9-18(17)23)33(29,30)26-11-5-4-6-12-26/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKFTYUFAOZHPZCT-UHFFFAOYSA-N
MW495.99 g/mol
LogP3.00
Rot. Bonds7

About N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide

N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide (PubChem CID 26620956) has the molecular formula C22H26ClN3O6S and a molecular weight of 495.99 g/mol. Its IUPAC name is N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide
PubChem CID26620956
Molecular FormulaC22H26ClN3O6S
Molecular Weight495.99 g/mol
Exact Mass495.12
IUPAC NameN'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1OC
InChIInChI=1S/C22H26ClN3O6S/c1-3-32-19-10-7-15(13-20(19)31-2)21(27)24-25-22(28)17-14-16(8-9-18(17)23)33(29,30)26-11-5-4-6-12-26/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKFTYUFAOZHPZCT-UHFFFAOYSA-N
XLogP3.00
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 26621859
5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
2-chloro-N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26364818
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817562
2-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 30395314
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26822918
5-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-2-methoxybenzamide
CID 30380560
N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55461385
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide?
The IUPAC name of N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide (CID 26620956) is N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide.
What is the SMILES notation for N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide?
The canonical SMILES for N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1OC.
What is the InChIKey of N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide?
The InChIKey is KFTYUFAOZHPZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O6S/c1-3-32-19-10-7-15(13-20(19)31-2)21(27)24-25-22(28)17-14-16(8-9-18(17)23)33(29,30)26-11-5-4-6-12-26/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide?
N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide has a molecular weight of 495.99 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)-4-ethoxy-3-methoxybenzohydrazide is sourced from PubChem (CID 26620956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).