5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide

C14H23N3O3S — CID 79900402

IUPAC5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide
SMILESCc1c(N(CCO)C2CCCC2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-10-13(8-11(15)9-14(10)21(16,19)20)17(6-7-18)12-4-2-3-5-12/h8-9,12,18H,2-7,15H2,1H3,(H2,16,19,20)
InChIKeyHJLBBXJZQKMTDK-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.97
Rot. Bonds5

About 5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide

5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide (PubChem CID 79900402) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide
PubChem CID79900402
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide
SMILESCc1c(N(CCO)C2CCCC2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-10-13(8-11(15)9-14(10)21(16,19)20)17(6-7-18)12-4-2-3-5-12/h8-9,12,18H,2-7,15H2,1H3,(H2,16,19,20)
InChIKeyHJLBBXJZQKMTDK-UHFFFAOYSA-N
XLogP0.97
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
CID 79900084
4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 82900365
5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide
CID 79901551
5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 103286902
5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide
CID 79896226
2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol
CID 54993772
5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide
CID 79905154
2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
CID 66095606
5-amino-3-[2-cyanoethyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79897338
3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 54995094
5-amino-N-cyclopentyl-2,3-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 65020823
5-amino-3-[bis(2-methoxyethyl)amino]-2-methylbenzenesulfonamide
CID 79899801

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide (CID 79900402) is 5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide is Cc1c(N(CCO)C2CCCC2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide?
The InChIKey is HJLBBXJZQKMTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10-13(8-11(15)9-14(10)21(16,19)20)17(6-7-18)12-4-2-3-5-12/h8-9,12,18H,2-7,15H2,1H3,(H2,16,19,20).
What are the key properties of 5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide?
5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 79900402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).