N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide

C22H30N2O2S — CID 70939271

IUPACN-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(CNc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H30N2O2S/c1-17(2)27(25,26)24-22-12-8-18(9-13-22)16-23-21-14-10-20(11-15-21)19-6-4-3-5-7-19/h8-15,17,19,23-24H,3-7,16H2,1-2H3
InChIKeyAWORMQRTTUNTRW-UHFFFAOYSA-N
MW386.56 g/mol
LogP5.50
Rot. Bonds7

About N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide

N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide (PubChem CID 70939271) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide
PubChem CID70939271
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(CNc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H30N2O2S/c1-17(2)27(25,26)24-22-12-8-18(9-13-22)16-23-21-14-10-20(11-15-21)19-6-4-3-5-7-19/h8-15,17,19,23-24H,3-7,16H2,1-2H3
InChIKeyAWORMQRTTUNTRW-UHFFFAOYSA-N
XLogP5.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.56
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939276
N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide
CID 70939182
N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide
CID 24850159
N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939828
methyl 4-[(4-cyclohexylphenyl)methylamino]benzoate
CID 67485130
N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939268
N-[4-[(3,4-difluoroanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939016
N-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939476
1-cyclohexyl-4-(dimethylsulfamoylamino)benzene
CID 110776745
N-(4-cyclobutylphenyl)methanesulfonamide
CID 170179821
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
CID 118376771
methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate
CID 67483542

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide (CID 70939271) is N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(CNc2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide?
The InChIKey is AWORMQRTTUNTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-17(2)27(25,26)24-22-12-8-18(9-13-22)16-23-21-14-10-20(11-15-21)19-6-4-3-5-7-19/h8-15,17,19,23-24H,3-7,16H2,1-2H3.
What are the key properties of N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide?
N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide has a molecular weight of 386.56 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 70939271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).