N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide

C22H27ClN2O5S — CID 55343091

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H27ClN2O5S/c1-2-3-4-13-30-19-8-5-17(6-9-19)22(26)24-18-7-10-20(23)21(16-18)31(27,28)25-11-14-29-15-12-25/h5-10,16H,2-4,11-15H2,1H3,(H,24,26)
InChIKeyKYIWPPAHPBSUAW-UHFFFAOYSA-N
MW466.99 g/mol
LogP4.18
Rot. Bonds9

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide (PubChem CID 55343091) has the molecular formula C22H27ClN2O5S and a molecular weight of 466.99 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide
PubChem CID55343091
Molecular FormulaC22H27ClN2O5S
Molecular Weight466.99 g/mol
Exact Mass466.13
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H27ClN2O5S/c1-2-3-4-13-30-19-8-5-17(6-9-19)22(26)24-18-7-10-20(23)21(16-18)31(27,28)25-11-14-29-15-12-25/h5-10,16H,2-4,11-15H2,1H3,(H,24,26)
InChIKeyKYIWPPAHPBSUAW-UHFFFAOYSA-N
XLogP4.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 126355286
4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24677372
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 27007356
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethoxynaphthalene-2-carboxamide
CID 24505780
4-chloro-N-[4-(difluoromethoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 26894892
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17112612
1-butyl-3-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 8668652
2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16545129
N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
CID 52751437

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide (CID 55343091) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide?
The InChIKey is KYIWPPAHPBSUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O5S/c1-2-3-4-13-30-19-8-5-17(6-9-19)22(26)24-18-7-10-20(23)21(16-18)31(27,28)25-11-14-29-15-12-25/h5-10,16H,2-4,11-15H2,1H3,(H,24,26).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide has a molecular weight of 466.99 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide is sourced from PubChem (CID 55343091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).