2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide

C13H17Cl2NO2S — CID 2400652

IUPAC2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c14-11-6-7-12(15)13(8-11)19(17,18)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyYBPDGIRDHJACSB-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.85
Rot. Bonds4

About 2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide

2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide (PubChem CID 2400652) has the molecular formula C13H17Cl2NO2S and a molecular weight of 322.26 g/mol. Its IUPAC name is 2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide
PubChem CID2400652
Molecular FormulaC13H17Cl2NO2S
Molecular Weight322.26 g/mol
Exact Mass321.04
IUPAC Name2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c14-11-6-7-12(15)13(8-11)19(17,18)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyYBPDGIRDHJACSB-UHFFFAOYSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide (CID 2400652) is 2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide?
The InChIKey is YBPDGIRDHJACSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2S/c14-11-6-7-12(15)13(8-11)19(17,18)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2.
What are the key properties of 2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide?
2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide has a molecular weight of 322.26 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(cyclohexylmethyl)benzenesulfonamide is sourced from PubChem (CID 2400652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).