[2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol

C14H19ClN2O3S — CID 107090687

IUPAC[2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol
SMILESO=S(=O)(c1ccc(CO)c(Cl)c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H19ClN2O3S/c15-14-9-13(4-1-11(14)10-18)21(19,20)17-7-5-16(6-8-17)12-2-3-12/h1,4,9,12,18H,2-3,5-8,10H2
InChIKeyXTYRIVOXZKRBEO-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.30
Rot. Bonds4

About [2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol

[2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol (PubChem CID 107090687) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is [2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol
PubChem CID107090687
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name[2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol
SMILESO=S(=O)(c1ccc(CO)c(Cl)c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H19ClN2O3S/c15-14-9-13(4-1-11(14)10-18)21(19,20)17-7-5-16(6-8-17)12-2-3-12/h1,4,9,12,18H,2-3,5-8,10H2
InChIKeyXTYRIVOXZKRBEO-UHFFFAOYSA-N
XLogP1.30
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol
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[2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol
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1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
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[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090902
[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-2-fluorophenyl]methanol
CID 79935533
5-(4-cyclopropylpiperazin-1-yl)sulfonyl-2-fluoroaniline
CID 61140255
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1-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-4-ethylpiperidine
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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol?
The IUPAC name of [2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol (CID 107090687) is [2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol?
The canonical SMILES for [2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol is O=S(=O)(c1ccc(CO)c(Cl)c1)N1CCN(C2CC2)CC1.
What is the InChIKey of [2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol?
The InChIKey is XTYRIVOXZKRBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c15-14-9-13(4-1-11(14)10-18)21(19,20)17-7-5-16(6-8-17)12-2-3-12/h1,4,9,12,18H,2-3,5-8,10H2.
What are the key properties of [2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol?
[2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol has a molecular weight of 330.84 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 107090687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).