2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide

C21H25ClN2O4S — CID 17484284

IUPAC2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C21H25ClN2O4S/c22-20-10-9-18(29(26,27)24-12-14-28-15-13-24)16-19(20)21(25)23-11-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-10,16H,4-5,8,11-15H2,(H,23,25)
InChIKeySQRMZBCMHLIUMI-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.11
Rot. Bonds8

About 2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide

2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide (PubChem CID 17484284) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide
PubChem CID17484284
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C21H25ClN2O4S/c22-20-10-9-18(29(26,27)24-12-14-28-15-13-24)16-19(20)21(25)23-11-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-10,16H,4-5,8,11-15H2,(H,23,25)
InChIKeySQRMZBCMHLIUMI-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
N-[2-(butylcarbamoyl)phenyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 28590712
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 100507560
2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1081914
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)urea
CID 108888055
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 21008889
2-chloro-5-morpholin-4-ylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 39688336
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24660007

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide (CID 17484284) is 2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide is O=C(NCCCCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide?
The InChIKey is SQRMZBCMHLIUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c22-20-10-9-18(29(26,27)24-12-14-28-15-13-24)16-19(20)21(25)23-11-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-10,16H,4-5,8,11-15H2,(H,23,25).
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide?
2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide has a molecular weight of 436.96 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide is sourced from PubChem (CID 17484284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).