2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide

C19H28Cl2N2O3S — CID 29092836

IUPAC2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](C)C2C)c(Cl)cc1Cl
InChIInChI=1S/C19H28Cl2N2O3S/c1-5-23(6-2)27(25,26)18-10-14(15(20)11-16(18)21)19(24)22-17-9-7-8-12(3)13(17)4/h10-13,17H,5-9H2,1-4H3,(H,22,24)/t12-,13?,17+/m1/s1
InChIKeyBPFVWYVVMSBMIW-KOHRXURCSA-N
MW435.42 g/mol
LogP4.58
Rot. Bonds6

About 2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide

2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide (PubChem CID 29092836) has the molecular formula C19H28Cl2N2O3S and a molecular weight of 435.42 g/mol. Its IUPAC name is 2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide
PubChem CID29092836
Molecular FormulaC19H28Cl2N2O3S
Molecular Weight435.42 g/mol
Exact Mass434.12
IUPAC Name2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](C)C2C)c(Cl)cc1Cl
InChIInChI=1S/C19H28Cl2N2O3S/c1-5-23(6-2)27(25,26)18-10-14(15(20)11-16(18)21)19(24)22-17-9-7-8-12(3)13(17)4/h10-13,17H,5-9H2,1-4H3,(H,22,24)/t12-,13?,17+/m1/s1
InChIKeyBPFVWYVVMSBMIW-KOHRXURCSA-N
XLogP4.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916
2,4-dichloro-5-(diethylsulfamoyl)-N-(2-methylbutan-2-yl)benzamide
CID 4776215
5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide
CID 63500408
2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 25162143
3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
CID 103221060
3-chloro-N-(2,3-dimethylcyclohexyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62165310
N-(2,3-dimethylcyclohexyl)-4-hydroxy-2-methylbenzamide
CID 103863506
4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 55805492
N-(2,3-dimethylcyclohexyl)-4-(dimethylsulfamoyl)benzamide
CID 17388431
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
CID 26797148
2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 18206629
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 129419826

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide?
The IUPAC name of 2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide (CID 29092836) is 2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](C)C2C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide?
The InChIKey is BPFVWYVVMSBMIW-KOHRXURCSA-N. The full InChI is InChI=1S/C19H28Cl2N2O3S/c1-5-23(6-2)27(25,26)18-10-14(15(20)11-16(18)21)19(24)22-17-9-7-8-12(3)13(17)4/h10-13,17H,5-9H2,1-4H3,(H,22,24)/t12-,13?,17+/m1/s1.
What are the key properties of 2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide?
2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide has a molecular weight of 435.42 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(diethylsulfamoyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzamide is sourced from PubChem (CID 29092836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).