4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide

C25H43ClN2O3S — CID 70022140

IUPAC4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide
SMILESCCCCCN(C)CCCCCCOC1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H43ClN2O3S/c1-4-5-8-19-27(2)20-9-6-7-10-21-31-24-15-13-23(14-16-24)28(3)32(29,30)25-17-11-22(26)12-18-25/h11-12,17-18,23-24H,4-10,13-16,19-21H2,1-3H3
InChIKeyYIELBJVFYARHFU-UHFFFAOYSA-N
MW487.15 g/mol
LogP5.97
Rot. Bonds15

About 4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide

4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide (PubChem CID 70022140) has the molecular formula C25H43ClN2O3S and a molecular weight of 487.15 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide
PubChem CID70022140
Molecular FormulaC25H43ClN2O3S
Molecular Weight487.15 g/mol
Exact Mass486.27
IUPAC Name4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide
SMILESCCCCCN(C)CCCCCCOC1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H43ClN2O3S/c1-4-5-8-19-27(2)20-9-6-7-10-21-31-24-15-13-23(14-16-24)28(3)32(29,30)25-17-11-22(26)12-18-25/h11-12,17-18,23-24H,4-10,13-16,19-21H2,1-3H3
InChIKeyYIELBJVFYARHFU-UHFFFAOYSA-N
XLogP5.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.15
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide
CID 70022526
N-methyl-N-[4-[4-[methyl(pentyl)amino]butoxy]cyclohexyl]-4-nitrobenzenesulfonamide
CID 70021656
N-[4-[6-(dipentylamino)hexoxy]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 70021096
(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate
CID 70021465
4-bromo-N-[4-[6-[ethyl(2-hydroxyethyl)amino]hexoxy]cyclohexyl]-N-methylbenzenesulfonamide
CID 22567660
N-[4-[6-[butyl(methyl)amino]hexoxy]phenyl]-4-chloro-N-methylbenzenesulfonamide
CID 23446582
N-[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]-N-methyl-4-nitrobenzenesulfonamide
CID 22567734
2-[[[methyl-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]sulfamoyl]amino]methyl]furan
CID 70022041
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
N-[[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]methyl]-4-nitrobenzenesulfonamide
CID 70020974
N-[4-[3-[ethyl(2-methoxyethyl)amino]propoxy]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 22567635
N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine
CID 70021761

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide (CID 70022140) is 4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide is CCCCCN(C)CCCCCCOC1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide?
The InChIKey is YIELBJVFYARHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43ClN2O3S/c1-4-5-8-19-27(2)20-9-6-7-10-21-31-24-15-13-23(14-16-24)28(3)32(29,30)25-17-11-22(26)12-18-25/h11-12,17-18,23-24H,4-10,13-16,19-21H2,1-3H3.
What are the key properties of 4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide?
4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide has a molecular weight of 487.15 g/mol, XLogP of 5.97, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 70022140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).