2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide

C12H17ClN2O5S2 — CID 15942825

IUPAC2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCOC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2O5S2/c1-20-9-4-6-15(7-5-9)22(18,19)10-2-3-12(11(13)8-10)21(14,16)17/h2-3,8-9H,4-7H2,1H3,(H2,14,16,17)
InChIKeyAYUCZFQOHBTJTO-UHFFFAOYSA-N
MW368.86 g/mol
LogP0.79
Rot. Bonds4

About 2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide

2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 15942825) has the molecular formula C12H17ClN2O5S2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide
PubChem CID15942825
Molecular FormulaC12H17ClN2O5S2
Molecular Weight368.86 g/mol
Exact Mass368.03
IUPAC Name2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide
SMILESCOC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2O5S2/c1-20-9-4-6-15(7-5-9)22(18,19)10-2-3-12(11(13)8-10)21(14,16)17/h2-3,8-9H,4-7H2,1H3,(H2,14,16,17)
InChIKeyAYUCZFQOHBTJTO-UHFFFAOYSA-N
XLogP0.79
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Methoxypiperidine-1-sulfonyl)benzene-1-sulfonamide
CID 43216606
4-(4-Ethoxypiperidine-1-sulfonyl)benzene-1-sulfonamide
CID 71364075
3,5-Dichloro-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 85753516
3-Chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide
CID 85828709
2-Chloro-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 85828711
2-Chloro-4-(4-hydroxypiperidin-1-yl)sulfonylbenzenesulfonamide
CID 85828715
3,5-Dichloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide
CID 85950224
2-Chloro-4-(4-methoxypiperidin-1-yl)sulfonyl-5-methylbenzenesulfonamide
CID 90672798
2-Chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide
CID 90672911
2-Chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide
CID 90672912
4-(3-Chlorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2940095
1-((3-Chloro-4-fluorophenyl)sulfonyl)-4-methoxypiperidine
CID 47134513

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide (CID 15942825) is 2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide is COC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is AYUCZFQOHBTJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O5S2/c1-20-9-4-6-15(7-5-9)22(18,19)10-2-3-12(11(13)8-10)21(14,16)17/h2-3,8-9H,4-7H2,1H3,(H2,14,16,17).
What are the key properties of 2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide?
2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 368.86 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methoxypiperidin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 15942825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).