4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

C18H22N2O5S2 — CID 652426

IUPAC4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C18H22N2O5S2/c1-25-16-7-11-17(12-8-16)26(21,22)19-15-5-9-18(10-6-15)27(23,24)20-13-3-2-4-14-20/h5-12,19H,2-4,13-14H2,1H3
InChIKeyMDXHRSORKZVFMJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.67
Rot. Bonds6

About 4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 652426) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID652426
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC Name4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C18H22N2O5S2/c1-25-16-7-11-17(12-8-16)26(21,22)19-15-5-9-18(10-6-15)27(23,24)20-13-3-2-4-14-20/h5-12,19H,2-4,13-14H2,1H3
InChIKeyMDXHRSORKZVFMJ-UHFFFAOYSA-N
XLogP2.67
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 579335
Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
CID 66804
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
5-(Morpholine-4-sulfonyl)-2-phenoxyaniline
CID 3809457
4-amino-N-(4-methoxyphenyl)benzene-1-sulfonamide
CID 578975
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
N-[4-(diethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 841703
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
3-amino-N-(4-methoxyphenyl)-4-(piperidin-1-yl)benzene-1-sulfonamide
CID 3746718
2-(4-Ethoxyphenoxy)-5-(morpholine-4-sulfonyl)aniline
CID 3833553
5-amino-N-(4-methoxyphenyl)-2-(piperidin-1-yl)benzene-1-sulfonamide
CID 3792687
2-Phenoxy-5-(piperidine-1-sulfonyl)aniline
CID 3853257

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 652426) is 4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is MDXHRSORKZVFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-25-16-7-11-17(12-8-16)26(21,22)19-15-5-9-18(10-6-15)27(23,24)20-13-3-2-4-14-20/h5-12,19H,2-4,13-14H2,1H3.
What are the key properties of 4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 410.52 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 652426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).