N-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide

C22H18ClF3N4O4S — CID 58268244

IUPACN-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(CC(=O)CN)c2)cc1C(F)(F)F
InChIInChI=1S/C22H18ClF3N4O4S/c1-12-2-3-17(9-18(12)22(24,25)26)35(33,34)30-19-7-14(23)11-29-20(19)21(32)13-4-5-28-15(6-13)8-16(31)10-27/h2-7,9,11,30H,8,10,27H2,1H3
InChIKeyRAVNGIRUFAFJES-UHFFFAOYSA-N
MW526.92 g/mol
LogP3.56
Rot. Bonds8

About N-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide

N-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 58268244) has the molecular formula C22H18ClF3N4O4S and a molecular weight of 526.92 g/mol. Its IUPAC name is N-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID58268244
Molecular FormulaC22H18ClF3N4O4S
Molecular Weight526.92 g/mol
Exact Mass526.07
IUPAC NameN-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(CC(=O)CN)c2)cc1C(F)(F)F
InChIInChI=1S/C22H18ClF3N4O4S/c1-12-2-3-17(9-18(12)22(24,25)26)35(33,34)30-19-7-14(23)11-29-20(19)21(32)13-4-5-28-15(6-13)8-16(31)10-27/h2-7,9,11,30H,8,10,27H2,1H3
InChIKeyRAVNGIRUFAFJES-UHFFFAOYSA-N
XLogP3.56
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.92
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Chmfl-PI4K-127
CID 141754964
5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162654796
5-[6-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162665982
5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-N-ethylpyridine-3-carboxamide
CID 141754937
N-(2-aminoethyl)-5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]pyridine-3-carboxamide
CID 141754957
5-[6-chloro-5-[(2,4-dimethylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162645378
5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162647933
5-[6-chloro-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162655335
5-[6-chloro-5-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162660184
5-[6-chloro-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162661699
5-[6-chloro-5-[(3-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162661775
4-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-N-methylpyridine-2-carboxamide
CID 141754920

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 58268244) is N-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(CC(=O)CN)c2)cc1C(F)(F)F.
What is the InChIKey of N-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RAVNGIRUFAFJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4O4S/c1-12-2-3-17(9-18(12)22(24,25)26)35(33,34)30-19-7-14(23)11-29-20(19)21(32)13-4-5-28-15(6-13)8-16(31)10-27/h2-7,9,11,30H,8,10,27H2,1H3.
What are the key properties of N-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
N-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 526.92 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-amino-2-oxopropyl)pyridine-4-carbonyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 58268244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).