2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide

C21H25ClN2O4S — CID 100507560

IUPAC2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)(Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-21(2,15-16-6-4-3-5-7-16)23-20(25)18-14-17(8-9-19(18)22)29(26,27)24-10-12-28-13-11-24/h3-9,14H,10-13,15H2,1-2H3,(H,23,25)
InChIKeyUXDOVLLBXSNTPO-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.11
Rot. Bonds6

About 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide

2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 100507560) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID100507560
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)(Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-21(2,15-16-6-4-3-5-7-16)23-20(25)18-14-17(8-9-19(18)22)29(26,27)24-10-12-28-13-11-24/h3-9,14H,10-13,15H2,1-2H3,(H,23,25)
InChIKeyUXDOVLLBXSNTPO-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide
CID 17484284
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43875346
2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1081914
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28590683
2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide
CID 171989528
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 100507560) is 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide is CC(C)(Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UXDOVLLBXSNTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-21(2,15-16-6-4-3-5-7-16)23-20(25)18-14-17(8-9-19(18)22)29(26,27)24-10-12-28-13-11-24/h3-9,14H,10-13,15H2,1-2H3,(H,23,25).
What are the key properties of 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 436.96 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 100507560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).