(2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide

C18H18Cl2N2O4S — CID 124743243

IUPAC(2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1
InChIInChI=1S/C18H18Cl2N2O4S/c19-14-6-2-1-5-13(14)11-21-18(23)16-12-22(9-10-26-16)27(24,25)17-8-4-3-7-15(17)20/h1-8,16H,9-12H2,(H,21,23)/t16-/m1/s1
InChIKeyYRAAKJZIRSWGGY-MRXNPFEDSA-N
MW429.33 g/mol
LogP2.70
Rot. Bonds5

About (2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide

(2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide (PubChem CID 124743243) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is (2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide
PubChem CID124743243
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC Name(2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1
InChIInChI=1S/C18H18Cl2N2O4S/c19-14-6-2-1-5-13(14)11-21-18(23)16-12-22(9-10-26-16)27(24,25)17-8-4-3-7-15(17)20/h1-8,16H,9-12H2,(H,21,23)/t16-/m1/s1
InChIKeyYRAAKJZIRSWGGY-MRXNPFEDSA-N
XLogP2.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(2-chlorophenyl)sulfonyl-N-[1-(cyclohexylmethyl)piperidin-4-yl]morpholine-2-carboxamide
CID 124886281
(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686919
N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]morpholine-2-carboxamide
CID 119888627
[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
CID 124725255
(2S)-4-(2-chlorophenyl)sulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)morpholine-2-carboxamide
CID 124886647
4-[(2R)-4-(2-chlorophenyl)sulfonylmorpholine-2-carbonyl]-1-cyclopropylpiperazin-2-one
CID 124887641
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 50764482
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 58702028
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
(3S)-N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
CID 92687016

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide (CID 124743243) is (2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide is O=C(NCc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1.
What is the InChIKey of (2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide?
The InChIKey is YRAAKJZIRSWGGY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c19-14-6-2-1-5-13(14)11-21-18(23)16-12-22(9-10-26-16)27(24,25)17-8-4-3-7-15(17)20/h1-8,16H,9-12H2,(H,21,23)/t16-/m1/s1.
What are the key properties of (2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide?
(2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide has a molecular weight of 429.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylmorpholine-2-carboxamide is sourced from PubChem (CID 124743243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).