2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide

C21H26Cl2N4O3S — CID 11966041

IUPAC2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide
SMILESCn1cc(S(=O)(=O)C2CCC(CNC(=O)c3ccc(Cl)cc3Cl)(CC3CC3)CC2)nn1
InChIInChI=1S/C21H26Cl2N4O3S/c1-27-12-19(25-26-27)31(29,30)16-6-8-21(9-7-16,11-14-2-3-14)13-24-20(28)17-5-4-15(22)10-18(17)23/h4-5,10,12,14,16H,2-3,6-9,11,13H2,1H3,(H,24,28)
InChIKeySLAWODYHZHIDLN-UHFFFAOYSA-N
MW485.44 g/mol
LogP4.05
Rot. Bonds7

About 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide

2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide (PubChem CID 11966041) has the molecular formula C21H26Cl2N4O3S and a molecular weight of 485.44 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide
PubChem CID11966041
Molecular FormulaC21H26Cl2N4O3S
Molecular Weight485.44 g/mol
Exact Mass484.11
IUPAC Name2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide
SMILESCn1cc(S(=O)(=O)C2CCC(CNC(=O)c3ccc(Cl)cc3Cl)(CC3CC3)CC2)nn1
InChIInChI=1S/C21H26Cl2N4O3S/c1-27-12-19(25-26-27)31(29,30)16-6-8-21(9-7-16,11-14-2-3-14)13-24-20(28)17-5-4-15(22)10-18(17)23/h4-5,10,12,14,16H,2-3,6-9,11,13H2,1H3,(H,24,28)
InChIKeySLAWODYHZHIDLN-UHFFFAOYSA-N
XLogP4.05
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide (CID 11966041) is 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide is Cn1cc(S(=O)(=O)C2CCC(CNC(=O)c3ccc(Cl)cc3Cl)(CC3CC3)CC2)nn1.
What is the InChIKey of 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide?
The InChIKey is SLAWODYHZHIDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4O3S/c1-27-12-19(25-26-27)31(29,30)16-6-8-21(9-7-16,11-14-2-3-14)13-24-20(28)17-5-4-15(22)10-18(17)23/h4-5,10,12,14,16H,2-3,6-9,11,13H2,1H3,(H,24,28).
What are the key properties of 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide?
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide has a molecular weight of 485.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-(1-methyltriazol-4-yl)sulfonylcyclohexyl]methyl]benzamide is sourced from PubChem (CID 11966041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).