4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide

C16H26N2O2S — CID 43454160

IUPAC4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC2CCCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-13(2)18-21(19,20)16-11-9-15(10-12-16)17-14-7-5-3-4-6-8-14/h9-14,17-18H,3-8H2,1-2H3
InChIKeyPPTMEPFUKANPBT-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.51
Rot. Bonds5

About 4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide

4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 43454160) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID43454160
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC2CCCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-13(2)18-21(19,20)16-11-9-15(10-12-16)17-14-7-5-3-4-6-8-14/h9-14,17-18H,3-8H2,1-2H3
InChIKeyPPTMEPFUKANPBT-UHFFFAOYSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454130
4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454135
4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43454139
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide
CID 78862058
4-(cyclohexylamino)benzenesulfonic acid
CID 141225645
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
(2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide
CID 95145385
4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 164861813
2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 2955440
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide (CID 43454160) is 4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(NC2CCCCCC2)cc1.
What is the InChIKey of 4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is PPTMEPFUKANPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(2)18-21(19,20)16-11-9-15(10-12-16)17-14-7-5-3-4-6-8-14/h9-14,17-18H,3-8H2,1-2H3.
What are the key properties of 4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide?
4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43454160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).