4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide

C20H21ClN2O4S — CID 7920749

IUPAC4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H21ClN2O4S/c21-18-7-5-16(13-19(18)28(25,26)23-8-10-27-11-9-23)20(24)22-17-6-4-14-2-1-3-15(14)12-17/h4-7,12-13H,1-3,8-11H2,(H,22,24)
InChIKeyXTOBUJLAPFJLKD-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.10
Rot. Bonds4

About 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 7920749) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID7920749
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC Name4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H21ClN2O4S/c21-18-7-5-16(13-19(18)28(25,26)23-8-10-27-11-9-23)20(24)22-17-6-4-14-2-1-3-15(14)12-17/h4-7,12-13H,1-3,8-11H2,(H,22,24)
InChIKeyXTOBUJLAPFJLKD-UHFFFAOYSA-N
XLogP3.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 26070595
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
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4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 42967013
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
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CID 27007356
4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849756
4-chloro-N-[4-(difluoromethoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 26894892
N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
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4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide
CID 1121791

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 7920749) is 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XTOBUJLAPFJLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c21-18-7-5-16(13-19(18)28(25,26)23-8-10-27-11-9-23)20(24)22-17-6-4-14-2-1-3-15(14)12-17/h4-7,12-13H,1-3,8-11H2,(H,22,24).
What are the key properties of 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 420.92 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 7920749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).