4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride

C15H22Cl2N4O3S — CID 120896162

IUPAC4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)CCNCC1.Cl
InChIInChI=1S/C15H21ClN4O3S.ClH/c1-23-10-15(3-6-17-7-4-15)9-20-24(21,22)12-8-19-14-13(12)11(16)2-5-18-14;/h2,5,8,17,20H,3-4,6-7,9-10H2,1H3,(H,18,19);1H
InChIKeyPOALZRAKDJQKGZ-UHFFFAOYSA-N
MW409.34 g/mol
LogP1.93
Rot. Bonds6

About 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride

4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride (PubChem CID 120896162) has the molecular formula C15H22Cl2N4O3S and a molecular weight of 409.34 g/mol. Its IUPAC name is 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
PubChem CID120896162
Molecular FormulaC15H22Cl2N4O3S
Molecular Weight409.34 g/mol
Exact Mass408.08
IUPAC Name4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)CCNCC1.Cl
InChIInChI=1S/C15H21ClN4O3S.ClH/c1-23-10-15(3-6-17-7-4-15)9-20-24(21,22)12-8-19-14-13(12)11(16)2-5-18-14;/h2,5,8,17,20H,3-4,6-7,9-10H2,1H3,(H,18,19);1H
InChIKeyPOALZRAKDJQKGZ-UHFFFAOYSA-N
XLogP1.93
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120896104
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120896564
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514
2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120895991
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120896176
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride
CID 120896062
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
2-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzenesulfonamide
CID 120896633
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 120896693
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896352
5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896300

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride (CID 120896162) is 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride is COCC1(CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)CCNCC1.Cl.
What is the InChIKey of 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The InChIKey is POALZRAKDJQKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O3S.ClH/c1-23-10-15(3-6-17-7-4-15)9-20-24(21,22)12-8-19-14-13(12)11(16)2-5-18-14;/h2,5,8,17,20H,3-4,6-7,9-10H2,1H3,(H,18,19);1H.
What are the key properties of 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride has a molecular weight of 409.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120896162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).