N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

C22H27ClN4O4S — CID 3973704

IUPACN-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C22H27ClN4O4S/c23-20-8-7-19(32(30,31)27-9-1-2-10-27)15-21(20)24-22(29)16-25-11-13-26(14-12-25)17-3-5-18(28)6-4-17/h3-8,15,28H,1-2,9-14,16H2,(H,24,29)
InChIKeyLIZDQGWOLVPHJH-UHFFFAOYSA-N
MW479.00 g/mol
LogP2.59
Rot. Bonds6

About N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 3973704) has the molecular formula C22H27ClN4O4S and a molecular weight of 479.00 g/mol. Its IUPAC name is N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID3973704
Molecular FormulaC22H27ClN4O4S
Molecular Weight479.00 g/mol
Exact Mass478.14
IUPAC NameN-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C22H27ClN4O4S/c23-20-8-7-19(32(30,31)27-9-1-2-10-27)15-21(20)24-22(29)16-25-11-13-26(14-12-25)17-3-5-18(28)6-4-17/h3-8,15,28H,1-2,9-14,16H2,(H,24,29)
InChIKeyLIZDQGWOLVPHJH-UHFFFAOYSA-N
XLogP2.59
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (CID 3973704) is N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is LIZDQGWOLVPHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O4S/c23-20-8-7-19(32(30,31)27-9-1-2-10-27)15-21(20)24-22(29)16-25-11-13-26(14-12-25)17-3-5-18(28)6-4-17/h3-8,15,28H,1-2,9-14,16H2,(H,24,29).
What are the key properties of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 479.00 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3973704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).