4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide

C18H18F2N2O4S — CID 49391044

IUPAC4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OC(F)F)c1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H18F2N2O4S/c19-18(20)26-15-3-1-2-12(10-15)11-21-17(23)13-4-8-16(9-5-13)27(24,25)22-14-6-7-14/h1-5,8-10,14,18,22H,6-7,11H2,(H,21,23)
InChIKeyWDAGAKBXEFHTME-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.66
Rot. Bonds8

About 4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide

4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide (PubChem CID 49391044) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide
PubChem CID49391044
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OC(F)F)c1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H18F2N2O4S/c19-18(20)26-15-3-1-2-12(10-15)11-21-17(23)13-4-8-16(9-5-13)27(24,25)22-14-6-7-14/h1-5,8-10,14,18,22H,6-7,11H2,(H,21,23)
InChIKeyWDAGAKBXEFHTME-UHFFFAOYSA-N
XLogP2.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(difluoromethoxy)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 49390939
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46475804
4-cyclohexyl-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]benzamide
CID 52685874
N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 49336502
3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 46588506
N-[4-(cyclopropylsulfamoyl)phenyl]-2-[4-(difluoromethoxy)phenyl]acetamide
CID 34431227
4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55713773
4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 97115789
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55847017
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55894287
4-(cyclopentylsulfamoyl)-N-(furan-3-ylmethyl)benzamide
CID 70751779

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide (CID 49391044) is 4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1cccc(OC(F)F)c1)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is WDAGAKBXEFHTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c19-18(20)26-15-3-1-2-12(10-15)11-21-17(23)13-4-8-16(9-5-13)27(24,25)22-14-6-7-14/h1-5,8-10,14,18,22H,6-7,11H2,(H,21,23).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide?
4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 49391044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).