4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C21H23ClN2O4S — CID 42967013

IUPAC4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1CCCC2)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H23ClN2O4S/c22-18-9-8-16(14-20(18)29(26,27)24-10-12-28-13-11-24)21(25)23-19-7-3-5-15-4-1-2-6-17(15)19/h3,5,7-9,14H,1-2,4,6,10-13H2,(H,23,25)
InChIKeyHUCDJMVBOPYJDX-UHFFFAOYSA-N
MW434.95 g/mol
LogP3.49
Rot. Bonds4

About 4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 42967013) has the molecular formula C21H23ClN2O4S and a molecular weight of 434.95 g/mol. Its IUPAC name is 4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID42967013
Molecular FormulaC21H23ClN2O4S
Molecular Weight434.95 g/mol
Exact Mass434.11
IUPAC Name4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1CCCC2)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H23ClN2O4S/c22-18-9-8-16(14-20(18)29(26,27)24-10-12-28-13-11-24)21(25)23-19-7-3-5-15-4-1-2-6-17(15)19/h3,5,7-9,14H,1-2,4,6,10-13H2,(H,23,25)
InChIKeyHUCDJMVBOPYJDX-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 7920749
4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2599735
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849756
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide
CID 1121791
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55895692
4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 26070595
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2207960

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 42967013) is 4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is O=C(Nc1cccc2c1CCCC2)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is HUCDJMVBOPYJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4S/c22-18-9-8-16(14-20(18)29(26,27)24-10-12-28-13-11-24)21(25)23-19-7-3-5-15-4-1-2-6-17(15)19/h3,5,7-9,14H,1-2,4,6,10-13H2,(H,23,25).
What are the key properties of 4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 434.95 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-morpholin-4-ylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 42967013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).