N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

C18H19BrN2O5S — CID 146256157

IUPACN-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O5S/c1-25-17-7-6-15(27(23,24)21-14-8-9-26-11-14)10-16(17)18(22)20-13-4-2-12(19)3-5-13/h2-7,10,14,21H,8-9,11H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyJCCVVECBNLEKLP-AWEZNQCLSA-N
MW455.33 g/mol
LogP2.78
Rot. Bonds6

About N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (PubChem CID 146256157) has the molecular formula C18H19BrN2O5S and a molecular weight of 455.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
PubChem CID146256157
Molecular FormulaC18H19BrN2O5S
Molecular Weight455.33 g/mol
Exact Mass454.02
IUPAC NameN-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O5S/c1-25-17-7-6-15(27(23,24)21-14-8-9-26-11-14)10-16(17)18(22)20-13-4-2-12(19)3-5-13/h2-7,10,14,21H,8-9,11H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyJCCVVECBNLEKLP-AWEZNQCLSA-N
XLogP2.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559539
N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
N-(3,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559583
N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256158
2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
CID 146559528
N-(2,4-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255929
N-(2-fluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256155
N-(2,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237316
2-methoxy-N-(3-methyl-2-pyridinyl)-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559541
N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237242
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255998
N-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-5-[[(3S)-oxan-3-yl]sulfamoyl]benzamide
CID 146237340

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (CID 146256157) is N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is COc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The InChIKey is JCCVVECBNLEKLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19BrN2O5S/c1-25-17-7-6-15(27(23,24)21-14-8-9-26-11-14)10-16(17)18(22)20-13-4-2-12(19)3-5-13/h2-7,10,14,21H,8-9,11H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide has a molecular weight of 455.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 146256157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).