3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide

C20H25ClN2O5S2 — CID 30126082

IUPAC3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C20H25ClN2O5S2/c1-28-20-10-9-18(15-19(20)21)29(24,25)22-12-11-16-5-7-17(8-6-16)30(26,27)23-13-3-2-4-14-23/h5-10,15,22H,2-4,11-14H2,1H3
InChIKeyFYHRCAQEDPNAFI-UHFFFAOYSA-N
MW473.02 g/mol
LogP3.04
Rot. Bonds8

About 3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide

3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide (PubChem CID 30126082) has the molecular formula C20H25ClN2O5S2 and a molecular weight of 473.02 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
PubChem CID30126082
Molecular FormulaC20H25ClN2O5S2
Molecular Weight473.02 g/mol
Exact Mass472.09
IUPAC Name3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C20H25ClN2O5S2/c1-28-20-10-9-18(15-19(20)21)29(24,25)22-12-11-16-5-7-17(8-6-16)30(26,27)23-13-3-2-4-14-23/h5-10,15,22H,2-4,11-14H2,1H3
InChIKeyFYHRCAQEDPNAFI-UHFFFAOYSA-N
XLogP3.04
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.02
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126227
3-chloro-4-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248763
3-chloro-4-methoxy-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide
CID 110287612
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 30126330
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 46820900
3,4-dimethoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248759
5-chloro-2-ethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126277
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100800412
3-chloro-4-methoxy-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzenesulfonamide
CID 16890745
4-(methanesulfonamido)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126367

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide (CID 30126082) is 3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide?
The InChIKey is FYHRCAQEDPNAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S2/c1-28-20-10-9-18(15-19(20)21)29(24,25)22-12-11-16-5-7-17(8-6-16)30(26,27)23-13-3-2-4-14-23/h5-10,15,22H,2-4,11-14H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide?
3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide has a molecular weight of 473.02 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 30126082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).