2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C21H22Cl2N2O4S — CID 2368017

IUPAC2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@H]1CCCc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C21H22Cl2N2O4S/c22-17-13-18(23)20(30(27,28)25-8-10-29-11-9-25)12-16(17)21(26)24-19-7-3-5-14-4-1-2-6-15(14)19/h1-2,4,6,12-13,19H,3,5,7-11H2,(H,24,26)/t19-/m0/s1
InChIKeySHJOLEQXRXTFMG-IBGZPJMESA-N
MW469.39 g/mol
LogP3.82
Rot. Bonds4

About 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 2368017) has the molecular formula C21H22Cl2N2O4S and a molecular weight of 469.39 g/mol. Its IUPAC name is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID2368017
Molecular FormulaC21H22Cl2N2O4S
Molecular Weight469.39 g/mol
Exact Mass468.07
IUPAC Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@H]1CCCc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C21H22Cl2N2O4S/c22-17-13-18(23)20(30(27,28)25-8-10-29-11-9-25)12-16(17)21(26)24-19-7-3-5-14-4-1-2-6-15(14)19/h1-2,4,6,12-13,19H,3,5,7-11H2,(H,24,26)/t19-/m0/s1
InChIKeySHJOLEQXRXTFMG-IBGZPJMESA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
2-chloro-5-piperidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4235471
2-methoxy-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 28570089
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
1-(2,5-dichlorophenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 28551085
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1087710
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 4283211
methyl 5-morpholin-4-ylsulfonyl-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
CID 51116284
2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92678157
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 2368017) is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is O=C(N[C@H]1CCCc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is SHJOLEQXRXTFMG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22Cl2N2O4S/c22-17-13-18(23)20(30(27,28)25-8-10-29-11-9-25)12-16(17)21(26)24-19-7-3-5-14-4-1-2-6-15(14)19/h1-2,4,6,12-13,19H,3,5,7-11H2,(H,24,26)/t19-/m0/s1.
What are the key properties of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 469.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 2368017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).