3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide

C12H19ClN2O3S — CID 114378967

IUPAC3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)N(CCO)C(C)C
InChIInChI=1S/C12H19ClN2O3S/c1-8(2)15(4-5-16)19(17,18)12-7-10(13)6-11(14)9(12)3/h6-8,16H,4-5,14H2,1-3H3
InChIKeySSRKWSJLNYGUHZ-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.62
Rot. Bonds5

About 3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide

3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 114378967) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID114378967
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)N(CCO)C(C)C
InChIInChI=1S/C12H19ClN2O3S/c1-8(2)15(4-5-16)19(17,18)12-7-10(13)6-11(14)9(12)3/h6-8,16H,4-5,14H2,1-3H3
InChIKeySSRKWSJLNYGUHZ-UHFFFAOYSA-N
XLogP1.62
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.62
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

3-amino-N-butan-2-yl-5-chloro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 114379391
2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 114379201
2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide
CID 114378855
3-amino-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 107325659
5-chloro-2-methyl-3-[propan-2-yl(propyl)sulfamoyl]benzoic acid
CID 82875153
3-amino-5-chloro-N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 114380323
N-(2-hydroxyethyl)-2,3-dimethyl-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 43574648
3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide
CID 114378979
4-amino-2-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 43577739
3-fluoro-5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 43578715
ethyl 2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetate
CID 114379371
3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
CID 114380287

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide (CID 114378967) is 3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)N(CCO)C(C)C.
What is the InChIKey of 3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is SSRKWSJLNYGUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-8(2)15(4-5-16)19(17,18)12-7-10(13)6-11(14)9(12)3/h6-8,16H,4-5,14H2,1-3H3.
What are the key properties of 3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 306.81 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 114378967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).