2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide

C16H24N2O2S — CID 43454674

IUPAC2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1NC1CCCCCC1
InChIInChI=1S/C16H24N2O2S/c19-21(20,18-14-11-12-14)16-10-6-5-9-15(16)17-13-7-3-1-2-4-8-13/h5-6,9-10,13-14,17-18H,1-4,7-8,11-12H2
InChIKeyJJNKJAWIEXDTKR-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.26
Rot. Bonds5

About 2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide

2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide (PubChem CID 43454674) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
PubChem CID43454674
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1NC1CCCCCC1
InChIInChI=1S/C16H24N2O2S/c19-21(20,18-14-11-12-14)16-10-6-5-9-15(16)17-13-7-3-1-2-4-8-13/h5-6,9-10,13-14,17-18H,1-4,7-8,11-12H2
InChIKeyJJNKJAWIEXDTKR-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
N-cyclohexyl-2-(propylamino)benzenesulfonamide
CID 62149807
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
2-amino-N-cycloheptylbenzenesulfonamide
CID 28590104
2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide
CID 43454494
2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide
CID 43599036
N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10908359
N-cyclohexylnaphthalene-1-sulfonamide
CID 3812052
2-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43383449
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide (CID 43454674) is 2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide is O=S(=O)(NC1CC1)c1ccccc1NC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide?
The InChIKey is JJNKJAWIEXDTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-21(20,18-14-11-12-14)16-10-6-5-9-15(16)17-13-7-3-1-2-4-8-13/h5-6,9-10,13-14,17-18H,1-4,7-8,11-12H2.
What are the key properties of 2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide?
2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 43454674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).