N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide

C12H17ClN2O3S — CID 166249626

IUPACN-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide
SMILESO=S(=O)(NCC(O)Cc1cccc(Cl)c1)N1CCC1
InChIInChI=1S/C12H17ClN2O3S/c13-11-4-1-3-10(7-11)8-12(16)9-14-19(17,18)15-5-2-6-15/h1,3-4,7,12,14,16H,2,5-6,8-9H2
InChIKeyVTVNQCSYTHPQPZ-UHFFFAOYSA-N
MW304.80 g/mol
LogP0.78
Rot. Bonds6

About N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide

N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide (PubChem CID 166249626) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide
PubChem CID166249626
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide
SMILESO=S(=O)(NCC(O)Cc1cccc(Cl)c1)N1CCC1
InChIInChI=1S/C12H17ClN2O3S/c13-11-4-1-3-10(7-11)8-12(16)9-14-19(17,18)15-5-2-6-15/h1,3-4,7,12,14,16H,2,5-6,8-9H2
InChIKeyVTVNQCSYTHPQPZ-UHFFFAOYSA-N
XLogP0.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072
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N-(2,3-dihydroxypropyl)pyrrolidine-1-sulfonamide
CID 66176482
N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide
CID 55206379
N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide
CID 86867163
N-[[3-(chloromethyl)phenyl]methyl]azepane-1-sulfonamide
CID 65032852
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
1-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 63016982
1-(3-chlorophenyl)-4-methylpent-4-en-2-ol
CID 79178681
1-(3-chlorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105076762
N-benzylpiperidine-1-sulfonamide
CID 2989594
1-(3-chlorophenyl)-4-methylsulfanylbutan-2-ol
CID 63900166

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide?
The IUPAC name of N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide (CID 166249626) is N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide is O=S(=O)(NCC(O)Cc1cccc(Cl)c1)N1CCC1.
What is the InChIKey of N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide?
The InChIKey is VTVNQCSYTHPQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c13-11-4-1-3-10(7-11)8-12(16)9-14-19(17,18)15-5-2-6-15/h1,3-4,7,12,14,16H,2,5-6,8-9H2.
What are the key properties of N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide?
N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide has a molecular weight of 304.80 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide is sourced from PubChem (CID 166249626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).