2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide

C16H18ClN3O4S — CID 3162899

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccncc2)cc1Cl
InChIInChI=1S/C16H18ClN3O4S/c1-11(16(21)19-10-12-5-7-18-8-6-12)20-25(22,23)13-3-4-15(24-2)14(17)9-13/h3-9,11,20H,10H2,1-2H3,(H,19,21)
InChIKeyPIGSXFLCQAWEOO-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.73
Rot. Bonds7

About 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 3162899) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID3162899
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccncc2)cc1Cl
InChIInChI=1S/C16H18ClN3O4S/c1-11(16(21)19-10-12-5-7-18-8-6-12)20-25(22,23)13-3-4-15(24-2)14(17)9-13/h3-9,11,20H,10H2,1-2H3,(H,19,21)
InChIKeyPIGSXFLCQAWEOO-UHFFFAOYSA-N
XLogP1.73
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2240759
3-Chloro-4-methoxy-N-pyridin-4-ylmethyl-benzenesulfonamide
CID 974271
2-(4-Methoxy-3-methyl-benzenesulfonylamino)-N-pyridin-4-ylmethyl-propionamide
CID 2988175
2-(4-Ethoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493067
2-(5-Chloro-2-methoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493572
4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 18455435
(2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-4-ylmethyl)sulfonamido]-3-methylbutanamide
CID 6539655
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-pyridin-3-ylmethyl-acetamide
CID 651842
3-chloro-4-methoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 974269
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1008082
2-[(4-Chloro-phenyl)-(4-methoxy-benzenesulfonyl)-amino]-N-pyridin-2-ylmethyl-acetamide
CID 1085400
2-[2-chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(2-pyridinylmethyl)acetamide
CID 2229473

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide (CID 3162899) is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide is COc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccncc2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is PIGSXFLCQAWEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c1-11(16(21)19-10-12-5-7-18-8-6-12)20-25(22,23)13-3-4-15(24-2)14(17)9-13/h3-9,11,20H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 383.86 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 3162899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).