[2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol

C14H21ClN2O3S — CID 114551610

IUPAC[2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)c(CO)c2)CC(C)N1C
InChIInChI=1S/C14H21ClN2O3S/c1-10-7-17(8-11(2)16(10)3)21(19,20)13-4-5-14(15)12(6-13)9-18/h4-6,10-11,18H,7-9H2,1-3H3
InChIKeyAJRNFXBCTQNZTG-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.55
Rot. Bonds3

About [2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol

[2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol (PubChem CID 114551610) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is [2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol
PubChem CID114551610
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name[2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)c(CO)c2)CC(C)N1C
InChIInChI=1S/C14H21ClN2O3S/c1-10-7-17(8-11(2)16(10)3)21(19,20)13-4-5-14(15)12(6-13)9-18/h4-6,10-11,18H,7-9H2,1-3H3
InChIKeyAJRNFXBCTQNZTG-UHFFFAOYSA-N
XLogP1.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(chloromethyl)-4-fluorophenyl]sulfonyl-1,2,6-trimethylpiperazine
CID 114540950
[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090579
3-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenol
CID 114538277
1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110662414
2-bromo-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542754
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-2,3-dihydro-1H-isoindole
CID 107422451
[2-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 81451955
2-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 79188651
[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090598
3,5-dichloro-4-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542749
[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931885
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110662434

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol?
The IUPAC name of [2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol (CID 114551610) is [2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol?
The canonical SMILES for [2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol is CC1CN(S(=O)(=O)c2ccc(Cl)c(CO)c2)CC(C)N1C.
What is the InChIKey of [2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol?
The InChIKey is AJRNFXBCTQNZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10-7-17(8-11(2)16(10)3)21(19,20)13-4-5-14(15)12(6-13)9-18/h4-6,10-11,18H,7-9H2,1-3H3.
What are the key properties of [2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol?
[2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol has a molecular weight of 332.85 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 114551610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).