4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide

C11H17ClN2O3S — CID 168637442

IUPAC4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC(O)CCl)cc1
InChIInChI=1S/C11H17ClN2O3S/c1-2-14-18(16,17)11-5-3-9(4-6-11)13-8-10(15)7-12/h3-6,10,13-15H,2,7-8H2,1H3
InChIKeySGMOBUQUQFSHIL-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.00
Rot. Bonds7

About 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide

4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide (PubChem CID 168637442) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide
PubChem CID168637442
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC(O)CCl)cc1
InChIInChI=1S/C11H17ClN2O3S/c1-2-14-18(16,17)11-5-3-9(4-6-11)13-8-10(15)7-12/h3-6,10,13-15H,2,7-8H2,1H3
InChIKeySGMOBUQUQFSHIL-UHFFFAOYSA-N
XLogP1.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106171016
N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102914045
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
3-[4-(ethylsulfamoyl)anilino]-2-methylpropanoic acid
CID 62676272
N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide
CID 102699032
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-[(3-chloro-2-hydroxypropyl)amino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 168638523
1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol
CID 168640286
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
4-[(3-chloro-2-hydroxypropyl)amino]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
CID 168639882
4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
CID 43453946
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide (CID 168637442) is 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(NCC(O)CCl)cc1.
What is the InChIKey of 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide?
The InChIKey is SGMOBUQUQFSHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-2-14-18(16,17)11-5-3-9(4-6-11)13-8-10(15)7-12/h3-6,10,13-15H,2,7-8H2,1H3.
What are the key properties of 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide?
4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 168637442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).