1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol

C12H16ClNO3S — CID 168640286

IUPAC1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol
SMILESO=S(=O)(c1ccc(NCC(O)CCl)cc1)C1CC1
InChIInChI=1S/C12H16ClNO3S/c13-7-10(15)8-14-9-1-3-11(4-2-9)18(16,17)12-5-6-12/h1-4,10,12,14-15H,5-8H2
InChIKeyUBXLPCVZMQETMR-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.63
Rot. Bonds6

About 1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol

1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol (PubChem CID 168640286) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol
PubChem CID168640286
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol
SMILESO=S(=O)(c1ccc(NCC(O)CCl)cc1)C1CC1
InChIInChI=1S/C12H16ClNO3S/c13-7-10(15)8-14-9-1-3-11(4-2-9)18(16,17)12-5-6-12/h1-4,10,12,14-15H,5-8H2
InChIKeyUBXLPCVZMQETMR-UHFFFAOYSA-N
XLogP1.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide
CID 168637442
N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]cyclopropanecarboxamide
CID 168638334
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
4-[(3-chloro-2-hydroxypropyl)amino]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
CID 168639882
1-anilino-3-chloropropan-2-ol
CID 3640254
2-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 168639283
1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
CID 168636829
2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 55898501
1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol
CID 168640461
1-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]propan-2-ol
CID 168636409
3-[4-(trifluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66175657
2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol
CID 82501956

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol (CID 168640286) is 1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol is O=S(=O)(c1ccc(NCC(O)CCl)cc1)C1CC1.
What is the InChIKey of 1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol?
The InChIKey is UBXLPCVZMQETMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c13-7-10(15)8-14-9-1-3-11(4-2-9)18(16,17)12-5-6-12/h1-4,10,12,14-15H,5-8H2.
What are the key properties of 1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol?
1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol has a molecular weight of 289.78 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol is sourced from PubChem (CID 168640286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).