4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide

C14H22ClN3O4S — CID 77089726

IUPAC4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide
SMILESCCOc1cc(CN2CCN(S(N)(=O)=O)CC2)c(Cl)cc1OC
InChIInChI=1S/C14H22ClN3O4S/c1-3-22-14-8-11(12(15)9-13(14)21-2)10-17-4-6-18(7-5-17)23(16,19)20/h8-9H,3-7,10H2,1-2H3,(H2,16,19,20)
InChIKeyFMVPBWAVNBUJHB-UHFFFAOYSA-N
MW363.87 g/mol
LogP1.07
Rot. Bonds6

About 4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide

4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide (PubChem CID 77089726) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is 4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide
PubChem CID77089726
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Name4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide
SMILESCCOc1cc(CN2CCN(S(N)(=O)=O)CC2)c(Cl)cc1OC
InChIInChI=1S/C14H22ClN3O4S/c1-3-22-14-8-11(12(15)9-13(14)21-2)10-17-4-6-18(7-5-17)23(16,19)20/h8-9H,3-7,10H2,1-2H3,(H2,16,19,20)
InChIKeyFMVPBWAVNBUJHB-UHFFFAOYSA-N
XLogP1.07
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99973684
3-[4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyridazine
CID 50964261
1-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-(2-methylsulfanylethyl)piperazine
CID 77082738
1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine
CID 117495710
1-ethylsulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 2902257
4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]benzenesulfonamide
CID 66542237
(1S,5R)-7-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135094383
1-(3-chlorophenyl)sulfonyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine
CID 8757905
1-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 9435627
methyl 4-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 126840899
(3S,4R)-1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134712962
1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 1150334

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide (CID 77089726) is 4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide is CCOc1cc(CN2CCN(S(N)(=O)=O)CC2)c(Cl)cc1OC.
What is the InChIKey of 4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide?
The InChIKey is FMVPBWAVNBUJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O4S/c1-3-22-14-8-11(12(15)9-13(14)21-2)10-17-4-6-18(7-5-17)23(16,19)20/h8-9H,3-7,10H2,1-2H3,(H2,16,19,20).
What are the key properties of 4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide?
4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide has a molecular weight of 363.87 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 77089726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).