N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide

C21H25ClN2O4S — CID 26639213

IUPACN-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-2-3-4-16-5-8-18(9-6-16)23-21(25)17-7-10-19(22)20(15-17)29(26,27)24-11-13-28-14-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyDICXYPCAWLYXKU-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.96
Rot. Bonds7

About N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide

N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 26639213) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID26639213
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC NameN-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-2-3-4-16-5-8-18(9-6-16)23-21(25)17-7-10-19(22)20(15-17)29(26,27)24-11-13-28-14-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyDICXYPCAWLYXKU-UHFFFAOYSA-N
XLogP3.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26639223
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide
CID 55343091
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126356549
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 126355286
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
4-chloro-N-[4-(difluoromethoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 26894892
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
N-(4-chloro-3-cyanophenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579596
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 7920749
4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 7478552

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide (CID 26639213) is N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide is CCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DICXYPCAWLYXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-2-3-4-16-5-8-18(9-6-16)23-21(25)17-7-10-19(22)20(15-17)29(26,27)24-11-13-28-14-12-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25).
What are the key properties of N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 436.96 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26639213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).