N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide

C19H22ClFN2O4S — CID 18136776

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H22ClFN2O4S/c1-12(2)22-28(25,26)18-10-13(8-9-17(18)27-4)19(24)23(3)11-14-15(20)6-5-7-16(14)21/h5-10,12,22H,11H2,1-4H3
InChIKeyCPIPXMNCNBCZLV-UHFFFAOYSA-N
MW428.91 g/mol
LogP3.45
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide

N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 18136776) has the molecular formula C19H22ClFN2O4S and a molecular weight of 428.91 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID18136776
Molecular FormulaC19H22ClFN2O4S
Molecular Weight428.91 g/mol
Exact Mass428.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H22ClFN2O4S/c1-12(2)22-28(25,26)18-10-13(8-9-17(18)27-4)19(24)23(3)11-14-15(20)6-5-7-16(14)21/h5-10,12,22H,11H2,1-4H3
InChIKeyCPIPXMNCNBCZLV-UHFFFAOYSA-N
XLogP3.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.91
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 24546681
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 38038012
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 51161410
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18170668
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38074784
N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 39914710
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
(2-chloro-6-fluorophenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973521
3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 51195778
2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 18189527
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide (CID 18136776) is N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is CPIPXMNCNBCZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O4S/c1-12(2)22-28(25,26)18-10-13(8-9-17(18)27-4)19(24)23(3)11-14-15(20)6-5-7-16(14)21/h5-10,12,22H,11H2,1-4H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 428.91 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 18136776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).