2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide

C12H19ClN2O3S — CID 168641055

IUPAC2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCC(O)CCl
InChIInChI=1S/C12H19ClN2O3S/c1-9(2)15-19(17,18)12-6-4-3-5-11(12)14-8-10(16)7-13/h3-6,9-10,14-16H,7-8H2,1-2H3
InChIKeyQLUKTACSLPFLBH-UHFFFAOYSA-N
MW306.82 g/mol
LogP1.38
Rot. Bonds7

About 2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide

2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 168641055) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID168641055
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.82 g/mol
Exact Mass306.08
IUPAC Name2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCC(O)CCl
InChIInChI=1S/C12H19ClN2O3S/c1-9(2)15-19(17,18)12-6-4-3-5-11(12)14-8-10(16)7-13/h3-6,9-10,14-16H,7-8H2,1-2H3
InChIKeyQLUKTACSLPFLBH-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 51.38
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

2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106170761
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
N-cyclopropyl-2-[2-(propan-2-ylsulfamoyl)anilino]acetamide
CID 43568444
2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 103354049
2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63838250

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide (CID 168641055) is 2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1NCC(O)CCl.
What is the InChIKey of 2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QLUKTACSLPFLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-9(2)15-19(17,18)12-6-4-3-5-11(12)14-8-10(16)7-13/h3-6,9-10,14-16H,7-8H2,1-2H3.
What are the key properties of 2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide?
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 306.82 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 168641055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).