4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide

C15H24N2O3S — CID 43454139

IUPAC4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC2CCC(O)CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(2)17-21(19,20)15-9-5-13(6-10-15)16-12-3-7-14(18)8-4-12/h5-6,9-12,14,16-18H,3-4,7-8H2,1-2H3
InChIKeyDUMAYGLFZOVDFG-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.09
Rot. Bonds5

About 4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide

4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 43454139) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID43454139
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC2CCC(O)CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(2)17-21(19,20)15-9-5-13(6-10-15)16-12-3-7-14(18)8-4-12/h5-6,9-12,14,16-18H,3-4,7-8H2,1-2H3
InChIKeyDUMAYGLFZOVDFG-UHFFFAOYSA-N
XLogP2.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454135
4-(cyclohexylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454130
4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454160
4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 104892759
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid
CID 62696168
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide
CID 78862058
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 2967476
cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6978147

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide (CID 43454139) is 4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(NC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is DUMAYGLFZOVDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)17-21(19,20)15-9-5-13(6-10-15)16-12-3-7-14(18)8-4-12/h5-6,9-12,14,16-18H,3-4,7-8H2,1-2H3.
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide?
4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43454139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).