5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide

C10H15ClN2O3S — CID 83176400

IUPAC5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
SMILESCC(CCO)NS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C10H15ClN2O3S/c1-7(4-5-14)13-17(15,16)10-6-8(12)2-3-9(10)11/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyRMQXBVYXPAFZOR-UHFFFAOYSA-N
MW278.76 g/mol
LogP0.97
Rot. Bonds5

About 5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide

5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide (PubChem CID 83176400) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
PubChem CID83176400
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
SMILESCC(CCO)NS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C10H15ClN2O3S/c1-7(4-5-14)13-17(15,16)10-6-8(12)2-3-9(10)11/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyRMQXBVYXPAFZOR-UHFFFAOYSA-N
XLogP0.97
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide
CID 83177341
5-amino-2-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248425
4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176394
5-amino-2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106153355
5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291710
2-[(5-amino-2-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567646
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
2-chloro-5-cyano-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 80704020
5-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479509
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
2-amino-4,6-dichloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83178059

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide (CID 83176400) is 5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide is CC(CCO)NS(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
The InChIKey is RMQXBVYXPAFZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-7(4-5-14)13-17(15,16)10-6-8(12)2-3-9(10)11/h2-3,6-7,13-14H,4-5,12H2,1H3.
What are the key properties of 5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide?
5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide has a molecular weight of 278.76 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 83176400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).