N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide

C22H22F6N2O4S — CID 100795505

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C22H22F6N2O4S/c1-34-18-8-7-13(9-19(18)35(32,33)30-16-5-3-2-4-6-16)20(31)29-17-11-14(21(23,24)25)10-15(12-17)22(26,27)28/h7-12,16,30H,2-6H2,1H3,(H,29,31)
InChIKeyAJBFJGUXKJIGLS-UHFFFAOYSA-N
MW524.48 g/mol
LogP5.60
Rot. Bonds6

About N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide (PubChem CID 100795505) has the molecular formula C22H22F6N2O4S and a molecular weight of 524.48 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide
PubChem CID100795505
Molecular FormulaC22H22F6N2O4S
Molecular Weight524.48 g/mol
Exact Mass524.12
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C22H22F6N2O4S/c1-34-18-8-7-13(9-19(18)35(32,33)30-16-5-3-2-4-6-16)20(31)29-17-11-14(21(23,24)25)10-15(12-17)22(26,27)28/h7-12,16,30H,2-6H2,1H3,(H,29,31)
InChIKeyAJBFJGUXKJIGLS-UHFFFAOYSA-N
XLogP5.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.48
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 29435478
N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-(cyclopentylsulfamoyl)-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031433
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
3-(cyclopentylsulfamoyl)-4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42147015
3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
CID 26102322
3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate
CID 38201593
4-methoxy-3-(methylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 40742205

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide (CID 100795505) is N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide?
The InChIKey is AJBFJGUXKJIGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N2O4S/c1-34-18-8-7-13(9-19(18)35(32,33)30-16-5-3-2-4-6-16)20(31)29-17-11-14(21(23,24)25)10-15(12-17)22(26,27)28/h7-12,16,30H,2-6H2,1H3,(H,29,31).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide has a molecular weight of 524.48 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 100795505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).