4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide

C23H33N3O4S2 — CID 70939913

IUPAC4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(CNc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H33N3O4S2/c1-23(2,3)32(29,30)26-21-11-9-18(10-12-21)17-24-19-13-15-22(16-14-19)31(27,28)25-20-7-5-4-6-8-20/h9-16,20,24-26H,4-8,17H2,1-3H3
InChIKeyIPPOJRSYPDAFSI-UHFFFAOYSA-N
MW479.67 g/mol
LogP4.45
Rot. Bonds8

About 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide

4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide (PubChem CID 70939913) has the molecular formula C23H33N3O4S2 and a molecular weight of 479.67 g/mol. Its IUPAC name is 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide
PubChem CID70939913
Molecular FormulaC23H33N3O4S2
Molecular Weight479.67 g/mol
Exact Mass479.19
IUPAC Name4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(CNc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H33N3O4S2/c1-23(2,3)32(29,30)26-21-11-9-18(10-12-21)17-24-19-13-15-22(16-14-19)31(27,28)25-20-7-5-4-6-8-20/h9-16,20,24-26H,4-8,17H2,1-3H3
InChIKeyIPPOJRSYPDAFSI-UHFFFAOYSA-N
XLogP4.45
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939108
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide
CID 70939182
N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70938934
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939912

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide (CID 70939913) is 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide is CC(C)(C)S(=O)(=O)Nc1ccc(CNc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide?
The InChIKey is IPPOJRSYPDAFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S2/c1-23(2,3)32(29,30)26-21-11-9-18(10-12-21)17-24-19-13-15-22(16-14-19)31(27,28)25-20-7-5-4-6-8-20/h9-16,20,24-26H,4-8,17H2,1-3H3.
What are the key properties of 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide?
4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide has a molecular weight of 479.67 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 70939913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).