2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

C18H15Cl2F3N2O4S — CID 33312013

IUPAC2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2F3N2O4S/c19-14-8-15(20)16(30(27,28)25-11-3-4-11)7-13(14)17(26)24-9-10-1-5-12(6-2-10)29-18(21,22)23/h1-2,5-8,11,25H,3-4,9H2,(H,24,26)
InChIKeyJIPVLNOGOGRSQB-UHFFFAOYSA-N
MW483.30 g/mol
LogP4.26
Rot. Bonds7

About 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 33312013) has the molecular formula C18H15Cl2F3N2O4S and a molecular weight of 483.30 g/mol. Its IUPAC name is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID33312013
Molecular FormulaC18H15Cl2F3N2O4S
Molecular Weight483.30 g/mol
Exact Mass482.01
IUPAC Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2F3N2O4S/c19-14-8-15(20)16(30(27,28)25-11-3-4-11)7-13(14)17(26)24-9-10-1-5-12(6-2-10)29-18(21,22)23/h1-2,5-8,11,25H,3-4,9H2,(H,24,26)
InChIKeyJIPVLNOGOGRSQB-UHFFFAOYSA-N
XLogP4.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.30
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17497716
2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide
CID 24680795
N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 55866989
propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate
CID 56543666
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 5295477
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
CID 46665692
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 19257505
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985999
5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 18225179
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 19257534
propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 46574592
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 17476854

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 33312013) is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is JIPVLNOGOGRSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F3N2O4S/c19-14-8-15(20)16(30(27,28)25-11-3-4-11)7-13(14)17(26)24-9-10-1-5-12(6-2-10)29-18(21,22)23/h1-2,5-8,11,25H,3-4,9H2,(H,24,26).
What are the key properties of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 483.30 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 33312013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).