3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide

C11H17N3O3S — CID 54995094

IUPAC3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1N(CCO)C1CC1
InChIInChI=1S/C11H17N3O3S/c12-10-7-9(18(13,16)17)3-4-11(10)14(5-6-15)8-1-2-8/h3-4,7-8,15H,1-2,5-6,12H2,(H2,13,16,17)
InChIKeyJFVVQWSMKOEUCD-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.12
Rot. Bonds5

About 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide

3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide (PubChem CID 54995094) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide
PubChem CID54995094
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1N(CCO)C1CC1
InChIInChI=1S/C11H17N3O3S/c12-10-7-9(18(13,16)17)3-4-11(10)14(5-6-15)8-1-2-8/h3-4,7-8,15H,1-2,5-6,12H2,(H2,13,16,17)
InChIKeyJFVVQWSMKOEUCD-UHFFFAOYSA-N
XLogP-0.12
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.12
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

4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 82900365
3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide
CID 43264692
1-N-butyl-1-N-cyclopropyl-4-methylsulfonylbenzene-1,2-diamine
CID 61440950
1-N-cyclopropyl-1-N-(3-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 78973880
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide
CID 43449230
4-amino-3-[cyclopropyl(ethyl)amino]benzenesulfonamide
CID 82907914
ethyl 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995082
3-amino-4-[3-hydroxypropyl(propan-2-yl)amino]benzenesulfonamide
CID 54993716
3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide
CID 43588041
methyl 3-amino-4-[cyclobutyl(2-hydroxyethyl)amino]benzoate
CID 102868394
5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 103286902
3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide
CID 61444804

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide (CID 54995094) is 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide is Nc1cc(S(N)(=O)=O)ccc1N(CCO)C1CC1.
What is the InChIKey of 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide?
The InChIKey is JFVVQWSMKOEUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c12-10-7-9(18(13,16)17)3-4-11(10)14(5-6-15)8-1-2-8/h3-4,7-8,15H,1-2,5-6,12H2,(H2,13,16,17).
What are the key properties of 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide?
3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide is sourced from PubChem (CID 54995094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).