5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

C15H24N2O3S — CID 61138671

IUPAC5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(CCO)C1CCCC1
InChIInChI=1S/C15H24N2O3S/c1-2-12-7-8-13(16)11-15(12)21(19,20)17(9-10-18)14-5-3-4-6-14/h7-8,11,14,18H,2-6,9-10,16H2,1H3
InChIKeyDPAWHVUJTAKDMH-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.76
Rot. Bonds6

About 5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61138671) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID61138671
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(CCO)C1CCCC1
InChIInChI=1S/C15H24N2O3S/c1-2-12-7-8-13(16)11-15(12)21(19,20)17(9-10-18)14-5-3-4-6-14/h7-8,11,14,18H,2-6,9-10,16H2,1H3
InChIKeyDPAWHVUJTAKDMH-UHFFFAOYSA-N
XLogP1.76
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140381
5-amino-N-cyclopentyl-2,3-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 65020823
4-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 102870273
2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859200
5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 61113686
4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859183
1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61138289
2-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 102675724
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717
5-amino-N,N,2-triethylbenzenesulfonamide
CID 43255626
N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675891

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 61138671) is 5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)N(CCO)C1CCCC1.
What is the InChIKey of 5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is DPAWHVUJTAKDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-12-7-8-13(16)11-15(12)21(19,20)17(9-10-18)14-5-3-4-6-14/h7-8,11,14,18H,2-6,9-10,16H2,1H3.
What are the key properties of 5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61138671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).