4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide

C17H15ClF2N2O4S — CID 39829528

IUPAC4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1
InChIInChI=1S/C17H15ClF2N2O4S/c18-14-9-13(7-8-15(14)26-17(19)20)27(24,25)22-12-3-1-10(2-4-12)16(23)21-11-5-6-11/h1-4,7-9,11,17,22H,5-6H2,(H,21,23)
InChIKeyRLADIFWKGAGVIV-UHFFFAOYSA-N
MW416.83 g/mol
LogP3.63
Rot. Bonds7

About 4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide

4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide (PubChem CID 39829528) has the molecular formula C17H15ClF2N2O4S and a molecular weight of 416.83 g/mol. Its IUPAC name is 4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide
PubChem CID39829528
Molecular FormulaC17H15ClF2N2O4S
Molecular Weight416.83 g/mol
Exact Mass416.04
IUPAC Name4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1
InChIInChI=1S/C17H15ClF2N2O4S/c18-14-9-13(7-8-15(14)26-17(19)20)27(24,25)22-12-3-1-10(2-4-12)16(23)21-11-5-6-11/h1-4,7-9,11,17,22H,5-6H2,(H,21,23)
InChIKeyRLADIFWKGAGVIV-UHFFFAOYSA-N
XLogP3.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.83
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27537411
4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 27710577
3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide
CID 2466269
3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 39827496
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 55535479
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
N-(3-aminocyclobutyl)-3-chloro-4-(difluoromethoxy)benzenesulfonamide
CID 43597890
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
N-cyclopentyl-4-[[4-[(1S)-1-hydroxyethyl]phenyl]sulfonylamino]benzamide
CID 41105553
(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104936024
4-[(4-fluorophenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387628
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide (CID 39829528) is 4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1.
What is the InChIKey of 4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide?
The InChIKey is RLADIFWKGAGVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O4S/c18-14-9-13(7-8-15(14)26-17(19)20)27(24,25)22-12-3-1-10(2-4-12)16(23)21-11-5-6-11/h1-4,7-9,11,17,22H,5-6H2,(H,21,23).
What are the key properties of 4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide?
4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide has a molecular weight of 416.83 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 39829528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).