N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide

C22H31N3O4S2 — CID 70939182

IUPACN-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(CNc2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C22H31N3O4S2/c1-17(2)30(26,27)24-20-13-11-18(12-14-20)16-23-21-9-6-10-22(15-21)31(28,29)25-19-7-4-3-5-8-19/h6,9-15,17,19,23-25H,3-5,7-8,16H2,1-2H3
InChIKeyGJRJZVNWKQAUJQ-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.06
Rot. Bonds9

About N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide

N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide (PubChem CID 70939182) has the molecular formula C22H31N3O4S2 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide
PubChem CID70939182
Molecular FormulaC22H31N3O4S2
Molecular Weight465.64 g/mol
Exact Mass465.18
IUPAC NameN-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(CNc2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C22H31N3O4S2/c1-17(2)30(26,27)24-20-13-11-18(12-14-20)16-23-21-9-6-10-22(15-21)31(28,29)25-19-7-4-3-5-8-19/h6,9-15,17,19,23-25H,3-5,7-8,16H2,1-2H3
InChIKeyGJRJZVNWKQAUJQ-UHFFFAOYSA-N
XLogP4.06
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939271
4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939913
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
CID 118376771
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide
CID 158174529
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
N-[4-[(3,4-difluoroanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939016
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide
CID 71691365

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide (CID 70939182) is N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide is CC(C)S(=O)(=O)Nc1ccc(CNc2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide?
The InChIKey is GJRJZVNWKQAUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S2/c1-17(2)30(26,27)24-20-13-11-18(12-14-20)16-23-21-9-6-10-22(15-21)31(28,29)25-19-7-4-3-5-8-19/h6,9-15,17,19,23-25H,3-5,7-8,16H2,1-2H3.
What are the key properties of N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide?
N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide has a molecular weight of 465.64 g/mol, XLogP of 4.06, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 70939182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).