N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride

C19H24ClN3O4S — CID 172705888

IUPACN-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCN(c1ccccc1)c1ccc(S(=O)(=O)C2(C(=O)NO)CCNCC2)cc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-22(15-5-3-2-4-6-15)16-7-9-17(10-8-16)27(25,26)19(18(23)21-24)11-13-20-14-12-19;/h2-10,20,24H,11-14H2,1H3,(H,21,23);1H
InChIKeyDOTQDYWHKBLUES-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.28
Rot. Bonds5

About N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride

N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 172705888) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID172705888
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC NameN-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCN(c1ccccc1)c1ccc(S(=O)(=O)C2(C(=O)NO)CCNCC2)cc1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-22(15-5-3-2-4-6-15)16-7-9-17(10-8-16)27(25,26)19(18(23)21-24)11-13-20-14-12-19;/h2-10,20,24H,11-14H2,1H3,(H,21,23);1H
InChIKeyDOTQDYWHKBLUES-UHFFFAOYSA-N
XLogP2.28
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 10938505
N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 22485386
N-hydroxy-1-methyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 11589972
4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride
CID 158016230
4-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonyl-N-methylanilino]butanoic acid
CID 10272307
N-hydroxy-4-[4-[methyl(4-oxopentyl)amino]phenyl]sulfonyloxane-4-carboxamide
CID 20780942
N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide
CID 22485342
tert-butyl 4-(hydroxycarbamoyl)-4-(4-phenoxyphenyl)sulfonylpiperidine-1-carboxylate;hydrochloride
CID 11598734
N-hydroxy-1-methylsulfonyl-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 11684850
N-hydroxy-4-methylsulfonylpiperidine-4-carboxamide
CID 18723267
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
CID 118179844
N-hydroxy-4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide
CID 11561492

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride (CID 172705888) is N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride is CN(c1ccccc1)c1ccc(S(=O)(=O)C2(C(=O)NO)CCNCC2)cc1.Cl.
What is the InChIKey of N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is DOTQDYWHKBLUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S.ClH/c1-22(15-5-3-2-4-6-15)16-7-9-17(10-8-16)27(25,26)19(18(23)21-24)11-13-20-14-12-19;/h2-10,20,24H,11-14H2,1H3,(H,21,23);1H.
What are the key properties of N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?
N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 425.94 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 172705888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).